4-Heptanone

114.19

114.19

1699049

204-608-9

9BN582JQ61

1414

8692

2710

DTXSID6047650

Stable, colorless liquid

29141900

17.1

2.04

Clear colorless to light yellow Liquid

0.8 g/cm³

-33 °C

144-146 °C

120 °F

n 20/D 1.408(lit.)

H2O: 4.6 g/L (20 ºC)

Flammables area

5.2 mm Hg ( 20 °C)

3.94 (vs air)

Oral-Rat LD50: 3000  mg/kg; Intravenous-Mouse LD50: 271 mg/kg

Combustible in case of open flame, high temperature and strong oxidant; burning emits irritating smoke

1%(V)

Pleasant odor

Burning taste

Henry's Law constant = 2.4X10-4 atm-cu m/mole at 25 °C (est)

Specific gravity: 0.8162 at 20 °C/20 °C|When heated to decomposition it emits acrid smoke and fumes.|Hydroxyl radical reaction rate constant = 9.3X10-12 cu cm/molecule-sec at 25 °C (est)

Flammable. Insoluble in water.

Ketones

Highly Flammable

DIPROPYL KETONE is incompatible with the following: Oxidizers (NIOSH, 2016).

Dipropyl ketone|D*: Other compounds that may form peroxides|1 samples had 1 ppm, age >10 yr|Management of time-sensitive chemicals (JCHAS)

430 °C

9.10 eV

Class II Combustible Liquid: Fl.P. at or above 100°F and below 140°F.

III

3

UN 2710 3/PG 3

2

10-20/22-20-R20-R10-2017/10/20

24/25-S24/25

MJ5600000

Xn

Completely packed, lightly placed; storeroom ventilated, away from open flames, high temperature, and stored separately from oxidants

Stable. Flammable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents.

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P312, P304+P340, P312, P370+P378, P403+P235, P501

H226-H332

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity 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 and plant life; and conformance with environmental and public health regulations.|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 permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. 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 be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.

Vapors may form explosive mixture with air.|Can react with oxidizing materials.

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: 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. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2016)|Flammable. Above 49 °C explosive vapour/air mixtures may be formed.|Flammable - 2nd degree

|Warning|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P312, P304+P340, P312, P370+P378, P403+P235, and P501|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|Aggregated GHS information provided by 1838 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P301+P310, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P331, P332+P313, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: 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 128 [Flammable Liquids (Water-Immiscible)]: 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 wash daily at the end of each work shift. Remove: Work clothing that becomes wet or significantly contaminated should be removed and replaced. Change: No recommendation is made specifying the need for the worker to change clothing after the work shift. (NIOSH, 2016)|Wear appropriate eye protection to prevent eye contact.|Wear appropriate personal protective clothing to prevent skin contact.|(See protection codes)

Flammable liquid when exposed to heat or flame

Explosive limits , vol% in air:

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources.|Personnel protection: Wear appropriate chemical protective gloves, boots, and goggles. Wear positive pressure self-contained breathing apparatus when fighting fires involving this material. If contact with the material anticipated, wear appropriate chemical protective clothing.|Carbon dioxide, dry chemical, alcohol foam, fog, and mist.|Suitable extinguishing media: For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Special protective equipment for fire-fighters: Wear self contained breathing apparatus for fire fighting if necessary. Use water spray to cool unopened containers.

Personal precautions: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Environmental precautions: Do not let product enter drains. Methods and materials for containment and cleaning up: Contain spillage, and then collect with non-combustible absorbent material, (e.g. sand, earth, diatomaceous earth, vermiculite) and place in container for disposal according to local / national regulations. Keep in suitable, closed containers for disposal.

Personnel protection: Avoid breathing vapors. Keep upwind. Avoid bodily contact with the material. Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water.|If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak it without undue personnel hazard. Use water spray to knock-down vapors.|Work clothing that becomes wet or significantly contaminated should be removed and replaced.|The worker should wash daily at the end of each work shift, and prior to eating, drinking, smoking, etc.|For more Preventive Measures (Complete) data for Dipropyl ketone (9 total), please visit the HSDB record page.

/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ 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. Substances may be transported hot.|/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Health: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.|/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... 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 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ 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 Dipropyl ketone (8 total), please visit the HSDB record page.

A skin and eye irritant .

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 50 ppm (235 mg/cu m).

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Remove all ignition sources. Ventilation. 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.

Fireproof. Separated from strong oxidants. Well closed.

A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C; on spraying or dispersing, however, much faster.

The substance is mildly irritating to the eyes and skin. The vapour is irritating to the respiratory tract. Exposure at high levels could cause lowering of consciousness.

The substance defats the skin, which may cause dryness or cracking.

NO open flames, NO sparks and NO smoking. Above 49 °C use a closed system, ventilation and explosion-proof electrical equipment.

PREVENT GENERATION OF MISTS!

Use ventilation, local exhaust or breathing protection.

Protective gloves.

Wear safety goggles.

| 1 - Materials that, under emergency conditions, can cause significant irritation.| 2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.| 0 - Materials that in themselves are normally stable, even under fire conditions.

One occurrence of dipropyl ketone was observed in chamber air during a study of the emissions of volatile organic compounds from the surface coatings of 44 furniture samples. The concentration was not specified(1).

moderately toxic

LD50 Rat oral 3730 mg/kg|LD50 Rat dermal 5660 mg/kg|LD50 Mouse oral >3200 mg/kg|LC50 Rats inhalation 2690 ppm/ 6hr

Dipropyl ketone's production and use as a solvent for nitrocellulose, raw and blown oils, resins, and polymers and in the production of lacquers and flavoring(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 178(SRC), determined from a log Kow of 2.04(2) and a regression-derived equation(3), indicates that dipropyl ketone is expected to have moderate mobility in soil(SRC). Volatilization of dipropyl ketone from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.4X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 5.2 mm Hg at 20 °C(4), and water solubility, 3.19X10+3 mg/L (5). Dipropyl ketone is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). Limited biodegradation data are available for dipropyl ketone(SRC, 2011); however, as a group n-alkyl ketones are reported to be susceptible to microbial degradation(6).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 178(SRC), determined from a log Kow of 2.04(2) and a regression-derived equation(3), indicates that dipropyl ketone is expected to adsorb very little to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(4) based upon an estimated Henry's Law constant of 2.4X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 5.2 mm Hg at 20 °C(5), and water soubility, 3.19X10+3 mg/L(6). Using this Henry's Law constant and an estimation method(4), volatilization half-lives for a model river and model lake are 3.7 hours and 5.4 days, respectively(SRC). According to a classification scheme(7),an estimated BCF of 9.7(SRC), from its log Kow(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Limited biodegradation data are available for dipropyl ketone(SRC, 2011); however, as a group n-alkyl ketones are reported to be susceptible to microbial degradation(8).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dipropyl ketone, which has a vapor pressure of 5.2 mm Hg at 20 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase dipropyl ketone is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 1.7 days(SRC), calculated from its rate constant of 9.3X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). The maximum UV absorption of dipropyl ketone occurs near 280 nm(4), and the absorption spectrum is expected to extend beyond 290 nm; therefore, this substance may be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of dipropyl ketone with photochemically-produced hydroxyl radicals has been estimated as 9.3X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 1.7 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Dipropyl ketone is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). The maximum UV absorption of dipropyl ketone occurs near 280 nm(3), and the absorption spectrum is expected to extend beyond 290 nm; therefore, this substance may be susceptible to direct photolysis by sunlight(SRC).|Smog chamber tests were performed to study the reactivity of 4 ppm dipropyl ketone with 2 ppm NO(1). Reported measurements included a maximum time for NO2 production of 150 minutes, a maximum ozone oxidant production of approximately 0.3 ppm , an eye irritation response time of approximately 180 seconds, and formaldehyde production of approximately 0.2 ppm(1). Based on these results, dipropyl ketone was classified as having low to intermediate smog reactivity(1).

An estimated BCF of 9.7 was calculated in fish for dipropyl ketone(SRC), using a log Kow of 2.04(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 dipropyl ketone is estimated as 178(SRC), using a log Kow of 2.04(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dipropyl ketone is expected to have moderate mobility in soil.

The Henry's Law constant for dipropyl ketone is estimated as 2.4X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 5.2 mm Hg at 20 °C(1), and water solubility, 3.19X10+3 mg/L(2). This Henry's Law constant indicates that dipropyl ketone is expected to volatilize from water surfaces(3). 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)(3) is estimated as 3.7 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)(3) is estimated as 5.4 days(SRC). Dipropyl ketone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of dipropyl ketone from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).

ENVIRONMENTAL: During a study of the occurrence of volatile organic compounds in human milk samples from five industrial US cities, dipropyl ketone was detected in one milk sample collected in Jersey City, NJ(1,2).

According to the 2006 TSCA Inventory Update Reporting data, the number of persons reasonably likely to be exposed in the industrial manufacturing, processing, and use of dipropyl ketone is 1000 or greater; the data may be greatly underestimated(1).|Occupational exposure to dipropyl ketone may occur through inhalation and dermal contact with this compound at workplaces where dipropyl ketone is produced or used. Monitoring data indicate that the general population may be exposed to dipropyl ketone via inhalation of ambient air and dermal contact with this compound or other products containing dipropyl ketone. (SRC)

Dipropyl ketone was detected in 12.4% of 387 samples of expired air collected from 54 individuals in Chicago, IL with a reported geometric mean concentration of 0.074 ng/L(1). Dipropyl ketone was detected in 35 out of 46 composite samples from the US EPA 1982 National Human Adipose Tissue Survey (NHATS) repository. Dipropyl ketone was detected in samples corresponding to all age groups and geographic regions(2). The reported concentration of dipropyl ketone ranged from 27 to 1044 ng/mL (median = 188 ng/mL)in the urine of 51 healthy individuals and from 17 to 978 ng/mL (median = 179 ng/mL) in 92 diabetic patients(3). During a study of the occurrence of volatile organic compounds in human milk samples from five industrial US cities, dipropyl ketone was detected in one milk sample collected in Jersey City, NJ(4,5).

... After establishing analytical methods for all postulated metabolites, /the authors/ analyzed (i) plasma samples from 50 patients on haemodialysis and 50 controls; (ii) urine samples from 100 diabetic patients and 100 controls; and (iii) urine samples from 10 controls receiving DEHP intravenously. 4-Heptanone concentrations in urine did not differ between controls (128.6+/-11.4 ug/L, mean+/- SEM) and diabetic patients (131.2+/-11.6 ug/L) but were significantly elevated in plasma from hemodialysis patients (95.9+/-9.6 ug/L) compared with controls (10.4+/-0.5 ug/L). Exposure to DEHP led to a significant increase (P<0.001) of the metabolite 4-heptanone and all the proposed intermediates in urine of healthy persons within 24 hr. CONCLUSIONS: These studies show that 4-heptanone is not associated with diabetes but is a major DEHP metabolite in humans...|2-Ethylhexanol was efficiently absorbed following oral administration to rats. Carbon-14 associated with 2-ethyl(1-14C)hexanol was rapidly excreted in respiratory CO2 (6-7%), feces (8-9%) and urine (80-82%), with essentially complete elimination by 28 hr after administration. The amount of label recovered in (14)CO2 matched the amount of unlabelled 2-heptanone plus 4-heptanone recovered from urine, suggesting that both types of metabolite may have been derived form the major urinary metabolite, 2-ethylhexanoic acid, by decarboxylation following partial beta-oxidation...

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. (ERG, 2016)

Eye: If this chemical contacts the eyes, immediately wash the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Contact lenses should not be worn when working with this chemical. Skin: If this chemical contacts the skin, wash the contaminated skin with soap and water. Breathing: If a person breathes large amounts of this chemical, move the exposed person to fresh air at once. If breathing has stopped, perform mouth-to-mouth resuscitation. Keep the affected person warm and at rest. Get medical attention as soon as possible. Swallow: If this chemical has been swallowed, get medical attention immediately. (NIOSH, 2016)|(See procedures)

Fresh air, rest. Refer for medical attention.

Rinse skin with plenty of water or shower.

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

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. /Ketones and related compounds/|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. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . For 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 ... . /Ketones and related compounds/|Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. 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 ... . Monitor cardiac rhythm and treat arrhythmias if necessary ... . 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. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Ketones and related compounds/

4-heptanone

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

irritation eyes, skin; central nervous system depression, dizziness, drowsiness, decreased breath; In Animals: liver injury; narcosis

Cough. Sore throat. Drowsiness. Lethargy. Headache.

Redness. Dry skin.

Redness.

Eyes, skin, central nervous system, liver

Grade: Technical

All other basic organic chemical manufacturing|4-Heptanone: ACTIVE|Made by passing butyric acid over precipitated CaCO3 at 450 °C.

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]|Fire Hazards -> Flammable - 2nd degree

Flavoring Agents