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Home > Encyclopedia > Pentanal

Pentanal

Pentanal structure

Pentanal 

structure
  • CAS No:

    110-62-3

  • Formula:

    C5H10O

  • Chemical Name:

    Pentanal

  • Synonyms:

    Pentanal;Valeraldehyde;Valeral;Valeric aldehyde;n-Valeraldehyde;n-Pentanal;Valeric acid aldehyde;Pentylaldehyde;NSC 35404;Amyl aldehyde

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

Colorless liquid with a strong, acrid, pungent odor.


Valeraldehyde appears as a colorless liquid. Slightly soluble in water and less dense than water. Flash point 54°F. Vapors heavier than air. Used to make artificial flavorings and rubber.|Liquid|COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.|colourless to pale yellow liquid|Colorless liquid with a strong, acrid, pungent odor.


Valeraldehyde appears as a colorless liquid. Slightly soluble in water and less dense than water. Flash point 54°F. Vapors heavier than air. Used to make artificial flavorings and rubber.|Pentanal is a saturated fatty aldehyde composed from five carbons in a straight chain. It has a role as a plant metabolite.|Pentanal is a solid. This compound belongs to the polyamines. These are compounds containing more than one amine group. This drug targets the protein cAMP-dependent protein kinase catalytic subunit alpha.

Pentanal Basic Attributes

86.13

86.13

1616304

203-784-4

B975S3014W

1417

35404

2058

DTXSID7021653

Liquid|Colorless liquid

29121900

Characteristics

17.07000

1.44

Valeraldehyde appears as a colorless liquid. Slightly soluble in water and less dense than water. Flash point 54°F. Vapors heavier than air. Used to make artificial flavorings and rubber.

0.8095 g/cm3 @ Temp: 20 °C

-91.5 °C

103 °C @ Press: 760 Torr

54 °F

1.385

H2O: 14 g/L (20 ºC)

0-6°C

26 mmHg

3

Oral-Rat  LD50: 4581 mg/kg;Oral-Mouse LD50: 6400 mg/kg

Inflammable in case of open flame, high temperature, oxidant; burning produces irritating smoke

1.7-6.8%(V)

POWERFUL, ACRID, PUNGENT ODOR

WARM, SLIGHTLY FRUITY, & NUT-LIKE AT LOW LEVELS

2.85e-11 cm3/molecule*sec

1.47e-04 atm-m3/mole|Henry's Law constant = 1.47X10-4 atm-cu m/mole at 25 °C

CONVERSION FACTORS: 1 MG/L EQUALS 284 PPM; 1 PPM EQUALS 3.5 MG/CU M|Hydroxyl radical reaction rate constant = 2.85X10-11 cu-cm/molc sec at 25 °C

Highly flammable. Slightly soluble in water. This chemical may be sensitive to prolonged exposure to air.

Aldehydes

Highly Flammable

VALERALDEHYDE is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation. This material is incompatible with oxidizing agents, strong bases and strong reducing agents. (NTP, 1992)

432 °F (222 °C)|222 °C

9.82 eV

Lower flammable limit:2.1% by volume; Upper flammable limit:7.8% by volume|Class IB Flammable Liquid: Fl.P. below 73°F and BP at or above 100°F.

The vapour mixes well with air, explosive mixtures are easily formed.

Safety Information

II

3

UN 2058 3/PG 2

1

11-38-41-36/37/38

16-26-33-39-37/39

YV3600000

F,Xi

The warehouse is ventilated, low temperature and dry; stored separately from oxidants and acids

Irritant/Flammable/Air Sensitive

Mixed with air, can be exploded by heat and open flame

Stable. Highly flammable. Incompatible with strong oxidizing agents, acids, strong alkalies, strong reducing agents.

P210-P280-P305 + P351 + P338

H225-H315-H318

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.|Dissolve in a combustible solvent, thence spray the solvent into the furnace with afterburner.

Pentanal is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.

Organization for Economic Cooperation and Development; Screening Information Data Set for n-Valeraldehyde, 110-62-3 (October 2005).[Available from the Database Query page at, as of January 15, 2009: http://www.chem.unep.ch/irptc/sids/OECDSIDS/sidspub.html]

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. (ERG, 2016)|Highly flammable. Vapour/air mixtures are explosive.|Flammable - 3rd degree

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P272, P280, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 1856 companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)

Skin: Wear appropriate personal protective clothing to prevent skin contact. Eyes: Wear appropriate eye protection to prevent eye contact. Wash skin: The worker should immediately wash the skin when it becomes contaminated. Remove: Work clothing that becomes wet should be immediately removed due to its flammability hazard(i.e. for liquids with flash point Change: No recommendation is made specifying the need for the worker to change clothing after the work shift. Provide: Eyewash fountains should be provided in areas where there is any possibility that workers could be exposed to the substance; this is irrespective of the recommendation involving the wearing of eye protection. Facilities for quickly drenching the body should be provided within the immediate work area for emergency use where there is a possibility of exposure. [Note: It is intended that these facilities provide a sufficient quantity or flow of water to quickly remove the substance from any body areas likely to be exposed. The actual determination of what constitutes an adequate quick drench facility depends on the specific circumstances. In certain instances, a deluge shower should be readily available, whereas in others, the availability of water from a sink or hose could be considered adequate.] (NIOSH, 2016)|Goggles or face shield; rubber gloves and boots.|Wear appropriate personal protective clothing to prevent skin contact.|Wear appropriate eye protection to prevent eye contact.|Eyewash fountains should be provided in areas where there is any possbility that workers could be exposed to the substance; this is irrespective of the recommendation involving the wearing of eye protection.|Facilities for quickly drenching the body should be provided within the immediate work area for emergency use where there is a possibility of exposure. [Note: It is intended that these facilities provide a sufficient quantity or flow of water to quickly remove the substance from any body areas likely to be exposed. The actual determination of what constitutes an adequate quick drench facility depends on the specific circumstances. In certain instances, a deluge shower should be readily available, whereas in others, the availability of water from a sink or hose could be considered adequate.]|(See protection codes)

A very dangerous fire hazard when exposed to heat or flame.

Vapor may explode if ignited in an enclosed area.|Explosive limits , vol% in air: 1.4-7.2

Foam, dry chemical, or carbon dioxide. Water may be ineffective.

Burning Rate: 1.9 mm/min|Flashback along vapor trail may occur.

Absorb the spills with rags or other available absorbing materials. Evaporate in a hood and dispose by burning the rag or the absorbing materials.

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.|The worker should immediately wash the skin when it becomes contaminated.|Work clothing that becomes wet should be immediately removed due to its flammability hazard (i.e., for liquids with a flash point <100 °F).|SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.|SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a POTW is acceptable only after review by the governing authority. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must meet Hazardous Material Criteria for disposal.

/GUIDE 129: FLAMMABLE LIQUIDS (Polar/Water-Miscible/Noxious)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.|/GUIDE 129: FLAMMABLE LIQUIDS (Polar/Water-Miscible/Noxious)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.|/GUIDE 129: FLAMMABLE LIQUIDS (Polar/Water-Miscible/Noxious)/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.|/GUIDE 129: FLAMMABLE LIQUIDS (Polar/Water-Miscible/Noxious)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.|For more DOT Emergency Guidelines (Complete) data for PENTANAL (8 total), please visit the HSDB record page.

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./|The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.|The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

Vapor may irritate eyes.|Valeraldehyde can affect you when breathed in. Contact can severely irritate the eyes, skin, nose and throat. ...

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 50 ppm (175 mg/cu m).|Exposure to acetaldehyde has produced nasal tumors in rats and laryngeal tumors in hamsters, and exposure to malonaldehyde has produced thyroid gland and pancreatic islet cell tumors in rats. NIOSH therefore recommends that acetaldehyde and malonaldehyde be considered potential occupational carcinogens in conformance with the OSHA carcinogen policy. Testing has not been completed to determine the carcinogenicity of ... n-valeraldehyde, ... /a/ related low-molecular-weight-aldehyde. However, the limited studies to date indicate that ... /this substance has/ chemical reactivity and mutagenicity similar to acetaldehyde and malonaldehyde. Therefore, NIOSH recommends that careful consideration should be given to reducing ... /exposure to this related aldehyde/.

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Ventilation. Remove all ignition sources. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer. Remove vapour with fine water spray.

Fireproof. Well closed. Cool.

A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.

The substance is irritating to the eyes, skin and respiratory tract.

NO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. Do NOT use compressed air for filling, discharging, or handling.

Use ventilation, local exhaust or breathing protection.

Protective gloves.

Wear safety goggles.

| 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.| 3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.| 0 - Materials that in themselves are normally stable, even under fire conditions.

Pentanal was emitted from samples of particle board with glued-on carpet and plywood coated with polyurethane at rates of 0.031 and 0.014 mg/sq m-hr, respectively(1). Pentanal was measured in the emissions of three paints at 0.26-0.48 mg/g of paint(2). Laboratory scale composting emissions contained pentanal after two days(3). The emission rate of pentanal during the operation of dry-process photocopiers was <10 ug/hr in idle mode and 540 ug/hr in print mode(4). Pentanal was released as fireplace emissions at 6.81 and 6.26 mg/kg of fuel burnt for soft and hard wood, respectively(5). Pentanal was found in emissions from a wood stove using hardwood at 13.05 mg/kg and using synthetic fuel at 6.74 mg/kg(5). Green aspen drying in a kiln at 160 °C for 2 hrs contained 70 ug/g of pentanal in a laboratory experiment(6). Wood drying in a mill for 10, 30, and 55 days at 160 °C emitted pentanal at concns of 42, 19, and 11 ug/g, respectively(6). Pentanal was emitted from wood dried in a kiln at 130 °C for 10 and 30 days was 2 and 5 ug/g(6). Pentanal was emitted from three day old floor coverings at rates of 3, 10, 8, 16, and 73 ug/sq m-hr for oak, pine, birch, oiled parquet, and waxed parquet, respectively(7). The emission rates at 28 days old were 1, 2, 6, 6, and 13 ug/sq m-hr for the same floor coverings(7). Pentanal was detected in 17 of 44 furniture emission samples(8). Pentanal was measured in the emissions of burnt wood at 32, 88, and 28 mg/kg of pine, oak, and eucalyptus, respectively, in the gas phase(9). Pentanal was detected but not quantified in the emissions of building materials with microbial growth(10). Pentanal was detected in the emissions of cookstoves in China using wheat crop residue, wood, coal, kerosene, liquid propane gas, and coal gas at concns of 13.1, 9.9, 2.2, 27.3, 4.7, and 2.2 mg/kg, respectively(11).|Pentanal was given off of six new vehicle interiors at an average of 29 ug/hr in new vehicles, 14 ug/hr in 20 day old vehicles and 16 ug/hr in 40 day old vehicles(1). Pentanal was detected, but not quantified, in gasoline and diesel fuel(2). Pentanal (as % of total non-methane organic compound emissions) was identified in regular gasoline (1.53%), high grade gasoline (1.49%), regular whole gas (2.97%), high grade whole gas (2.71%), roadway (1.91%), bus parking garage hot soak (0.70%), bus parking garage cold start (1.05%), motorcycle emissions (2.62%), petroleum refinery (0.83%), lead smelter (0.45%), cast iron factory emissions (0.58%), and natural gas (0.05%) in Cairo, Egypt(3). Pentanal sampling conducted in the Tuscarora Mountain Tunnel, PA gave the following results: light duty trucks emitted 0.05 mg/km traveled or 0.736 mg/L fuel used, heavy duty trucks emitted 0.617 mg/km traveled or 1.943 mg/L fuel used(4). Pentanal concns from automobile exhaust were 2.8-18 ppbv in models from 1971 and 1977(5). Pentanal was measured in the emissions of gasoline powered motor vehicles at a rate of 490 ug/km and 27,000 ug/km for catalyst equipped engines and non-catalyst equipped engines(6). Pentanal emissions from an automobile running on Swedish environmental classified diesel fuel were 3.6 mg/km and the same automobile running on European program emissions fuel were 2.8 mg/km(7).

URBAN/SUBURBAN: Ambient levels of pentanal measured on September 11-19, 1985 on the Pomona College campus in Claremont, CA ranged from <0.1 to 0.6 ppb, with a median of 0.1 ppb(1). These levels were much lower than those measured previously during a photochemical smog episode(1). Pentanal was detected in one of ten samples in the Kanawha Valley, WV and four of nine air samples in the Shenandoah Valley, VA in the fall of 1977(2). Pentanal avg concn in Los Angeles was 0.41 ppb(3). Pentanal was detected in 13 of 13 samples taken across the US (3 in LA, 4 in TX, 5 in VT, 1 in NJ) from Sept 1996 to Aug 1997 at <1 ppb(4). Pentanal was detected in Los Angeles (UCLA campus, Monterey Park, Newberry Park, La Habra) at 0.03-0.23 ppbv in samples taken Oct 1984(5). Pentanal was detected in 7 of 8 winter and 3 of 18 summer samples at 0.0-3.0 ppb and 0.0-0.27 ppb taken in the greater Boston, MA area in 1993(6).|URBAN/SUBURBAN: Air concns of pentanal were determined between 1979 and 1981 at three sites in The Netherlands, an unpolluted island, a small city, and a heavily industrialized area(1). The mean and maximum concns of pentanal in air at these sites in the Netherlands were 0.05 and 0.40 ppb, respectively(1). The mean, minimum, and maximum 1-hr pentanal concns ranged from 0.15-1.07, 0.04-0.37, and 0.33-1.88 ppb, respectively(2) at four urban sites in Stockholm, Sweden. The corresponding concns at a recreational site 12 km outside the central city were 0.49, 0.12, and 1.99 ppb. Pentanal, analyzed in Athens, Greece, June to December 2000, was not detected at Patission Street(3). Pentanal was detected in Grenoble, France in samples taken May 4-11, 1995 at rue Jeanne D'Arc on the roof of a bike shop(4). Pentanal was detected at 0.92 ppb in 8 of 13 Helsinki samples tested May to Sep 1997(5). Pentanal was detected in air from San Paulo, Brazil at 0.016-0.668 ppb in samples taken July 1988(6). Pentanal was detected at 0.11, 0.18, and 0.20 ug/cu m in Frohnau, Nansenstrasze, and Frankfurter Allee, respectively, in Berlin, Germany from samples taken Jun-Aug 1996(7).|INDOOR AIR: In a study of air quality in three EPA headquarters' buildings following health complaints, it was found that 18 of the 20 samples contained pentanal above the 0.06 ug/cu m quantitation limit(1). The mean and maximum pentanal concentration were 0.5, 0.7, 1.9 ug/cu m and 0.8, 0.9, 2.0 ug/cu m, respectively(1) in the three buildings. Pentanal was found in two of six samples of indoor air analyzed in Italy at concentrations of 8 and 15 ug/cu m(2). Pentanal was present in two preschools in Stockholm, Sweden(3) and one of four Swedish dwellings that were part of a study on emissions from floor finishes(4) at unreported concentrations. Pentanal was found in 15 of 15 residences in Helsinki, Finland samples tested May to September, 1997, at an average concentration of 1.3 ppb and in 9 of 9 work places at an average concentration of 0.7 ppb(5). Pentanal was detected in 46% of 26 houses tested for the presence of organic compounds(6). Pentanal was detected in 14 of 14 winter and 26 of 26 summer samples at 0.49-2.0 ppb and 0.22-3.9 ppb taken in the greater Boston, MA area in 1993(7).|SOURCE DOMINATED: Levels of pentanal ranging from not detectable to 38 ug/cu m were found in ambient air surrounding the Kin-Buc Waste Disposal Site in New Jersey(1).

Pentanal was detected, but not quantified, in gasoline and diesel fuel(1).

Toxicity

moderately toxic

LD50 Mouse oral 6,400 mg/kg|LD50 Guinea pig dermal 20 g/kg /20,000 mg/kg/|LD50 Rat oral 4,581 mg/kg|LD50 Rabbit dermal 4,857 mg/kg

Pentanal is a volatile given off of plants(1,2) and is also an emission product of microorganisms and animal waste(1). The concn of pentanal is relatively high in undeveloped apples but then decreases to undetectable levels as the harvest approaches(3). Pentanal was emitted from rape during the blooming period(4).|REPORTED FOUND AMONG CONSTITUENTS OF SEVERAL ESSENTIAL OILS: BRAZILIAN SASSAFRAS, BULGARIAN ROSE, BULGARIAN CLARY SAGE, & OTHERS; ALSO IN DISTILLATES FROM LEAVES OF VARIOUS EUCALYPTUS SPECIES: E CINEREA, E GLOBULUS, E DIVES, E MAIDENI,& E HEMILAMPRA.

Pentanal's production and use as a flavoring agent and as a rubber accelerator(1) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 25(SRC), determined from a water solubility of 1.17X10+4 mg/L(2) and a regression-derived equation(3), indicates that pentanal is expected to have very high mobility in soil(SRC). Volatilization of pentanal from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 1.47X10-4 atm-cu m/mole(4). Pentanal is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 26 mm Hg(5). In activated sludge from waste treatment plants in operation, pentanal had a theoretical oxygen demand of 17.8% after 24 hrs(6), suggesting that biodegradation may be an important fate process in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 25(SRC), determined from a water solubility of 1.17X10+4 mg/L(2) and a regression-derived equation(3), indicates that pentanal is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 1.47X10-4 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 8 hours and 5 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from its water solubility(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). In activated sludge from waste treatment plants in operation, pentanal had a theoretical oxygen demand of 17.8% after 24 hrs(6), suggesting biodegradation is an important environmental fate process in water(SRC). Pentanal is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), pentanal, which has a vapor pressure of 26 mm Hg at 20 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase pentanal is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-lives for this reaction in air are estimated to be 14.6 and 13.5 hours(SRC), calculated from rate constants of 2.63X10-11(3) and 2.85X10-11(4) cu cm/molecule-sec at 25 °C, respectively. Vapor-phase pentanal is also degraded in the atmosphere by reaction with photochemically-produced nitrate radicals; the half-life for this reaction in air is estimated to be 49 hours(SRC), calculated from rate constant of 1.65X10-14 cu cm/sec(3). Pentanal contains chromophores that absorb at wavelengths >290 nm(5) and will undergo photodegradation to form propene, vinyl alcohol and ethanal(6).

The rate constant for the vapor-phase reaction of pentanal with photochemically produced hydroxyl radicals has been reported as 2.63X10-11 cu cm/molecule-sec(1) and 2.85X10-11 cu cm/molecule-sec(2). These correspond to atmospheric half-lives of about 14.6 and 13.5 hours, respectively, at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(2). The rate constant for the vapor-phase reaction of pentanal with nitrate radical has been experimentally determined to be 1.65X10-14 cu cm/sec(1). This corresponds to atmospheric half-life of about 49 hours at a concentration of 2.4X10+8 nitrate radicals per cu cm(3). Pentanal is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(4). Pentanal does contain chromophores that absorb at wavelengths >290 nm(4) and will undergo photodegradation to form propene, vinyl alcohol and ethanal(5).

An estimated BCF of 3 was calculated in fish for pentanal(SRC), using a water solubility of 1.17X10+4 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

The Koc of pentanal is estimated as 25(SRC), using a water solubility of 1.17X10+4 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that pentanal is expected to have very high mobility in soil.

The Henry's Law constant for pentanal is 1.47X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that pentanal is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 8 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5 days(SRC). Pentanal's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Pentanal is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 26 mm Hg(3).

DRINKING WATER: In an EPA survey of drinking water in 10 cities, pentanal was found in the drinking water of Ottumwa, IA at approximately 0.5 ug/L, but was not detected in the drinking water of Miami, FL, Seattle, WA, Philadelphia, PA, Cincinnati, OH, Grand Forks, MI, Lawrence, MA, New York, NY, Terrebonne Parrish, LA, and Tuscon, AZ(1). Pentanal was identified as an ozone disinfection by-product in drinking water samples from a pilot plant in Jefferson Parish, LA which uses Mississippi River water as the raw water source; samples were collected following 4 rounds of ozonation treatment performed in January, 1994, August 1994, May 1995, and September 1996(2). Pentanal was not detected when using ozone, ozone with bromide, or chlorine dioxide with bromide disinfection processes, but was detected when using chloramination at 0.69 ug/L, chloramination with bromide at 0.62 ug/L, chlorine dioxide at 0.18 ug/L, chlorine at 0.66 ug/L, and chlorine with bromide treatments at 0.7 ug/L(3).

Pentanal has been identified as a volatile in the following foods: Korean chamchwi(1), baked potatoes(2), cassava(3), French mountain cheese(4), raw beef(5-6), roasted filberts(7), boiled short-necked clams and clams(8), scrambled eggs(9), delicious apples(10), frankfurters(11), Italian-type dry-cured ham(12), and fried chicken(13). Pentanal was found in popcorn using dry extraction method at 36 ug/kg and not detected using wet extraction method(14). Commercial rice cakes were found to contain 130-440 ppb of pentanal(15). Fermented soybean (Glycine max) curds were found to contain 24.6-151.3 ug/kg of pentanal(16). Pentanal was detected in the emissions from heated rapeseed oil(17) and in whole and ground musty sorghum with direct helium-purge method and with supercritical fluid extraction method(18).

ENVIRONMENTAL: Pentanal was detected, but not quantified, in 7 of 8 samples of mother's milk analyzed from 4 US urban areas(1). Pentanal was detected, not quantified, in cold storage, store bought milk in Australia(2).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 1,557 workers (276 of these were female) were potentially exposed to pentanal in the US(1). Occupational exposure to pentanal may occur through inhalation and dermal contact with this compound at workplaces where pentanal is produced or used. Monitoring data and use information indicate that the general population may be exposed to pentanal via inhalation of ambient air, ingestion of food and drinking water, and dermal contact with products containing pentanal(SRC).|As part of EPA's pilot Total Exposure Assessment Methodology (TEAM) study, personal air of 8 subjects in New Jersey were monitored; none contained pentanal(1). Pentanal was found in 12 of 15 personal air samples at a mean concn of 0.90 ppb from samples taken in Helsinki, Finland, tested May to September, 1997(2).

In EPA's National Human Adipose Tissue Survey (NHATS) for 1982, all 46 composite samples analyzed contained pentanal: in all 12 samples for 0-14, in all 17 samples for 15-44, and in all 17 samples for 45 and over years of age(1). Pentanal was detected, but not quantified, in 7 of 8 samples of mother's milk analyzed from 4 U.S. urban areas(2).

Drug Information

Studies using human liver indicate that valeraldehyde, ... is readily oxidized and that its relative rate of oxidation is similar when tested in vitro at substrate concentrations between 0.5 and 3.0 mM using partially purified human liver aldehyde dehydrogenase (ALDH). Under these conditions, the rate of oxidation for /valeraldehyde/ was comparable to acetaldehyde.

Many volatile organic compounds (VOCs) are significant environmental irritants that stimulate somatosensory nerve endings to produce pain and irritation. ...Intracellular calcium in cultured trigeminal ganglion neurons /was measured/ to characterize the cellular mechanisms and chemical structural determinants underlying sensitivity to VOCs. Trigeminal neurons responded to homologous series of alcohols (C4-C7) as well as saturated and unsaturated aldehydes in a concentration dependent manner. Ranked in terms of threshold to recruit neurons by compounds of the same carbon chain length, enaldehyde 20 carbon atoms did not inhibit GJIC. In the case of oleic and elaidic acid, orientation seemed important; however, after exposure to palmitoleic and palmitelaidic acid no differences were found. The most potent inhibitor of GJIC was linoleic acid, which inhibited GJIC by 75%. No correlation was found between degrees of unsaturation and ability to inhibit GJIC. Of the tested aldehydes, hexanal, propanal, butanal and 4-hydroxynonenal did significantly inhibit GJIC, while pentanal had no effect. Since modification of LDL was shown to be important in order for LDL to inhibit GJIC, these results show that fatty acids and their oxidative breakdown products may be of importance for the inhibition of GJIC by LDL.

Vapor may irritate eyes. Liquid irritates eyes and skin. (USCG, 1999)

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)|(See procedures)


Fresh air, rest.


Remove contaminated clothes. Rinse and then wash skin with water and soap.


First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Aldehydes and Related Compounds/|/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Aggressive airway management may be necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Anticipate seizures and treat if necessary ... . Monitor for shock and treat if necessary ... . Monitor for pulmonary edema and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aldehydes and Related Compounds/|/SRP:/ Advanced treatment: Consider Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Intubation should be considered at the first sign of upper airway obstruction caused by edema. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Aldehydes and Related Compounds/

/HUMAN EXPOSURE STUDIES/ Three Asian subjects who reported experiencing severe facial flushing in response to ethanol ingestion were subjects of patch testing to aliphatic alcohols and aldehydes. An aqueous suspension of 75% (v/v) of each alcohol and aldehyde was prepared and 25 uL was used to saturate ashless grade filter paper squares which were then placed on the forearm of each subject. Patches were covered with Parafilm and left in place for 5 minutes when the patches were removed and the area gently blotted. Sites showing erythema during the next 60 minutes were considered positive. All three subjects displayed positive responses to ethyl, propyl, butyl, and pentyl alcohols. Intense positive reactions, with variable amounts of edema, were observed for all the aldehydes tested (valeraldehyde as well as acetaldehyde, propionaldehyde, and butyraldehyde).|/SIGNS AND SYMPTOMS/ A mild irritant.|/SIGNS AND SYMPTOMS/ /CNS depressant/ and irritation common to aldehydes, but they are mild.|/SIGNS AND SYMPTOMS/ Exposure at high levels can cause you to feel dizzy and lightheaded. Poisonous if swallowed.|For more Human Toxicity Excerpts (Complete) data for PENTANAL (7 total), please visit the HSDB record page.

pentanal

The substance can be absorbed into the body by inhalation of its vapour.|inhalation, ingestion, skin and/or eye contact

irritation eyes, skin, nose, throat


Cough. Sore throat.


Redness.


Redness. Pain.

Eyes, skin, respiratory system

Pentanal Use and Manufacturing

Methods of Manufacturing

Catalyzed by n-valeric acid.

Uses

In flavoring Compounds, resin chemistry, rubber accelerators.


Intermediates

Production

10,000,000 - 50,000,000 lb|(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS|(1976) PROBABLY GREATER THAN 2.27X10+6 GRAMS|Pentanal is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).|Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#2284]

All other basic organic chemical manufacturing|Pentanal: ACTIVE

GC PROCEDURE FOR DETERMINING SIMPLE MONOCARBONYLS IN CIGARET SMOKE AS BENZYLOXIME DERIVATIVES.|OSHA Method No. 85. HPLC Reliable quantitation limit 174 ppb|Method: EPA-TSC/NERL 556; Procedure: gas chromatography with electron capture detector; Analyte: pentanal; Matrix: finished drinking water and raw source water; Detection Limit: 0.47 ug/L.|Method: EPA-OGWDW/TSC 556.1; Procedure: fast gas chromatography system equipped with an electron capture detector; Analyte: pentanal; Matrix: finished drinking water and raw source water; Detection Limit: 0.09 ug/L.|For more Analytic Laboratory Methods (Complete) data for PENTANAL (7 total), please visit the HSDB record page.

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty aldehydes [FA06]|Fire Hazards -> Flammable - 3rd degree

Flavoring Agents

Computed Properties

Molecular Weight:86.13
XLogP3:1.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:86.073164938
Monoisotopic Mass:86.073164938
Topological Polar Surface Area:17.1
Heavy Atom Count:6
Complexity:32.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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