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Home > Encyclopedia > 4-Methyl-2-pentyl acetate

4-Methyl-2-pentyl acetate

4-Methyl-2-pentyl acetate structure

4-Methyl-2-pentyl acetate 

structure
  • CAS No:

    108-84-9

  • Formula:

    C8H16O2

  • Chemical Name:

    4-Methyl-2-pentyl acetate

  • Synonyms:

    2-Pentanol,4-methyl-,2-acetate;2-Pentanol,4-methyl-,acetate;MAAc;Methylisobutylcarbinol acetate;4-Methyl-2-pentyl acetate;1,3-Dimethylbutyl acetate;4-Methylpent-2-yl ethanoate;Acetic acid 1,3-dimethylbutyl ester;4-Methyl-2-pentanol acetate;NSC 567;155749-22-7

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

Colorless liquid with a mild, pleasant, fruity odor.


Methylamyl acetate appears as a clear colorless liquid. Flash point 95°F. Less dense than water and insoluble in water. Vapors heavier than air.|COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.|Colorless liquid with a mild, pleasant, fruity odor.


Methylamyl acetate appears as a clear colorless liquid. Flash point 95°F. Less dense than water and insoluble in water. Vapors heavier than air.

4-Methyl-2-pentyl acetate Basic Attributes

144.21100

144.21

203-621-7

1335

567

1233

DTXSID6051562

Colorless liquid.

2915390090

Characteristics

26.30000

1.98410

Methylamyl acetate appears as a clear colorless liquid. Flash point 95°F. Less dense than water and insoluble in water. Vapors heavier than air.

0.8805 g/cm3 @ Temp: 25 °C

-64 °C

147.5 °C

45°C

1.411

0.08%

Store in a cool place, away from sources of ignition.

3 mmHg

Relative vapour density (air = 1): 5.0

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

Explosive limits , vol% in air: 0.9-5.7

Mild, pleasant, fruity odor.

1 PPM= 5.89 MG/CU M

Highly flammable. Insoluble in water.

Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters

Highly Flammable

METHYLAMYL ACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. This compound is incompatible with the following: Nitrates; strong oxidizers, alkalis & acids (NIOSH, 2016).

510 °F (USCG, 1999)|510 °F (CALCULATED)

-14,400 BTU/LB= -8,000 CAL/G= -335 X 10+5 J/KG

Flammable Limits in Air: 0.9%-5.7% (calculated)|Class II Combustible Liquid: Fl.P. at or above 100°F and below 140°F.

225 BTU/LB= 125 CAL/G= 5.23X10+5 J/KG

606 °F= 319 °C= 592 DEG K, 382 PSIA= 26 ATM= 2.6 MN/SQ M

Safety Information

III

3.2

3272

R10

S16

SA7525000

F;Xi

Fireproof. Separated from strong oxidants.

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

H226

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.|1. BY ABSORBING IT IN VERMICULITE, DRY SAND, EARTH OR SIMILAR MATERIAL AND DISPOSING IN A SECURED SANITARY LANDFILL. 2. BY ATOMIZING IN A SUITABLE COMBUSTION CHAMBER.|Spray into the furnace. Incineration will become easier by mixing with a more flammable solvent.

Nitrates; strong oxidizers, alkalis and acids.

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / 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)|Flammable. Above 45 °C explosive vapour/air mixtures may be formed.|Flammable - 2nd degree

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 127 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226: Flammable liquid and vapor [Warning Flammable liquids]

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / 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 130 [Flammable Liquids (Water-Immiscible / 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 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)|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.|Organic canister or air pack; rubber gloves, goggles.|Wear appropriate personal protective clothing to prevent skin contact.|Wear appropriate eye protection to prevent eye contact.|For more Personal Protective Equipment (PPE) (Complete) data for 4-METHYL-2-PENTYL ACETATE (7 total), please visit the HSDB record page.|(See protection codes)

MODERATE FIRE RISK.

lower 0.9% by volume in air|Explosive limits , vol% in air: 0.9-5.7

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.

FLASHBACK ALONG VAPOR TRAIL MAY OCCUR. VAPOR MAY EXPLODE IF IGNITED IN AN ENCLOSED AREA.

1. REMOVE ALL IGNITION SOURCES. 2. VENTILATE AREA OF SPILL OR LEAK. 3. FOR SMALL QUANTITIES, ABSORB ON PAPER TOWELS. EVAPORATE IN A SAFE PLACE (SUCH AS A FUME HOOD). ALLOW SUFFICIENT TIME FOR EVAPORATING VAPORS TO COMPLETELY CLEAR THE HOOD DUCTWORK. BURN THE PAPER IN A SUITABLE LOCATION AWAY FROM COMBUSTIBLE MATERIALS.LIQUID SEC-HEXYL ACETATE SHOULD NOT BE ALLOWED TO ENTER A CONFINED SPACE, SUCH AS A SEWER, BECAUSE OF THE POSSIBILITY OF AN EXPLOSION.

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 or significantly contaminated should be removed and replaced.|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 if without undue personnel hazard. Use water spray to knock-down vapors.|For more Preventive Measures (Complete) data for 4-METHYL-2-PENTYL ACETATE (6 total), please visit the HSDB record page.

/GUIDE 130: FLAMMABLE LIQUIDS (Non-Polar/Water-Immiscible/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 130: FLAMMABLE LIQUIDS (Non-Polar/Water-Immiscible/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 130: FLAMMABLE LIQUIDS (Non-Polar/Water-Immiscible/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 130: FLAMMABLE LIQUIDS (Non-Polar/Water-Immiscible/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 4-METHYL-2-PENTYL ACETATE (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.

Overexposure ... may cause eye and throat irritation.|...HUMAN SUBJECTS...NOTED IRRITATION OF THE EYES AND UPPER RESPIRATORY TRACT AT 100 PPM.

Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 50 ppm (300 mg/cu m).

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 50 ppm (300 mg/cu m).

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. 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.

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

The substance is irritating to the eyes, skin and respiratory tract. Exposure at high levels could cause unconsciousness.

NO open flames, NO sparks and NO smoking. Above 45 °C use a closed system, ventilation and explosion-proof electrical equipment.

Use ventilation, local exhaust or breathing protection.

Protective gloves.

Wear safety spectacles.

| 0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.| 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.| 1 - Materials that, under emergency conditions, can cause significant irritation.

Toxicity

In persons with impaired pulmonary function, especially those with obstructive airway diseases, the breathing of sec-hexyl acetate might cause exacerbation of symptoms due to its irritant properties or ... reflex bronchospasm. ... sec-Hexyl acetate is a defatting agent and can cause dermatitis on prolonged exposure. Persons with pre-existing skin disorders may be more susceptible to the effects of this agent.

THESE COMPOUNDS ALSO OCCUR NATURALLY IN APPLES AND THEIR LEAVES. /HEXYL ACETATES/

4-Methyl-2-pentyl acetate's use as a solvent for nitrocellulose and other lacquers(1) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 700(SRC), determined from an estimated log Kow of 2.7(2,SRC) and a recommended regression-derived equation(3), indicates that 4-methyl-2-pentyl acetate is expected to have low mobility in soil(SRC). Volatilization of 4-methyl-2-pentyl acetate from moist soil surfaces is expected to be important(SRC) given an estimated Henry's Law constant of 5.8X10-4 atm-cu m/mole at 20 °C(SRC) from its experimental values for vapor pressure, 4.0 mm Hg(4), and water solubility, 1.3X10+3 mg/l(4). The potential for volatilization of 4-methyl-2-pentyl acetate from dry soil surfaces may exist(SRC) based upon its measured vapor pressure(4). Volatilization is expected to be attenuated by adsorption(SRC). Biodegradation of 4-methyl-2-pentyl acetate in soil may be important(SRC), based upon its biodegradation in aerobic screening tests(5).|AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 700(SRC), determined from an estimated log Kow of 2.7(2,SRC) and a recommended regression-derived equation(3), indicates that 4-methyl-2-pentyl acetate is expected to adsorb to suspended solids and sediment in water(SRC). 4-Methyl-2-pentyl acetate is expected to volatilize from water surfaces(3,SRC) based on an estimated Henry's Law constant of 5.8X10-4 atm-cu m/mole at 20 °C(SRC) from its experimental values for vapor pressure, 4.0 mm Hg(4), and water solubility, 1.3X10+3 mg/l(4). Estimated volatilization half-lives for a model river and model lake are 5.3 hours and 5.3 days, respectively(3,SRC). Adsorption is expected to attenuate volatilization(SRC). According to a classification scheme(5), an estimated BCF of 66(3,SRC), from an estimated log Kow(2,SRC), suggests that bioconcentration in aquatic organisms is moderate, not high(SRC). 4-Methyl-2-pentyl acetate is expected to biodegrade in aquatic systems(SRC). In aerobic screening tests using an unacclimated sewage seed, 4-methyl-2-pentyl acetate reached 20, 87, 62 and 69% of its theoretical BOD in freshwater and 11, 22, 52, and 67% of its theoretical BOD in synthetic seawater after 5, 10, 15, and 20 days, respectively(6). Estimated hydrolysis half-lives of 78 and 7.8 years at pHs 7 and 8, respectively(7), indicate that hydrolysis is not expected to be an important process(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 4-methyl-2-pentyl acetate, which has a measured vapor pressure of 4 mm Hg at 20 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 4-methyl-2-pentyl acetate 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 about 2.0 days(3,SRC).

The rate constant for the vapor-phase reaction of 4-methyl-2-pentyl acetate with photochemically-produced hydroxyl radicals has been estimated as 8.2X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 2.0 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). A base-catalyzed second order hydrolysis rate constant of 2.8X10-3 L/mol-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 78 and 7.8 years at pH values of 7 and 8, respectively(2,SRC).

An estimated BCF of 66 was calculated for 4-methyl-2-pentyl acetate(SRC), using an estimated log Kow of 2.7(1,SRC) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF suggests that bioconcentration in aquatic organisms is moderate, not high(SRC).

The Koc of 4-methyl-2-pentyl acetate is estimated as approximately 700(SRC), using an estimated log Kow of 2.7(1,SRC) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that 4-methyl-2-pentyl acetate is expected to have low mobility in soil(SRC).

The Henry's Law constant for 4-methyl-2-pentyl acetate is estimated as 5.8X10-4 atm-cu m/mole at 20 °C(SRC) from its experimental values for vapor pressure, 4.0 mm Hg(1), and water solubility, 1.3X10+3 mg/l(1). This value indicates that 4-methyl-2-pentyl acetate is expected to volatilize from water surfaces(2,SRC). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) as approximately 5.3 hours(2,SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) as approximately 5.3 days(2,SRC). The volatilization half-life from an environmental pond 2 m deep is estimated to be about 2.5 days ignoring adsorption(3); when considering maximum adsorption the volatilization half-life increases to 8.0 days(3). 4-Methyl-2-pentyl acetate's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces may occur(SRC). Adsorption to organic matter is expected to attenuate this process(SRC). The potential for volatilization of 4-methyl-2-pentyl acetate from dry soil surfaces may exist(SRC) based on its measured vapor pressure(1).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 145 workers are potentially exposed to 4-methyl-2-pentyl acetate in the US(1). Occupational exposure to 4-methyl-2-pentyl acetate may occur through inhalation and dermal contact with this compound at workplaces where 4-methyl-2-pentyl acetate is used(SRC).

Drug Information

1,3-DIMETHYLBUTYLACETATE WAS NOT RAPIDLY HYDROLYZED USING WHOLE HOMOGENATES OF PIG JEJUNUM & LIVER. THERE WAS WIDE VARIATION IN DEGREE OF IN VITRO HYDROLYSIS OF THESE ESTERS DEPENDING ON SOURCE OF ENZYMES USED.

Headache, dizziness, nausea, irritation to respiratory passages. Irritates eyes. (USCG, 1999)

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, flush the contaminated skin with water promptly. If this chemical penetrates the clothing, immediately remove the clothing and flush the skin with water promptly. If irritation persists after washing, get medical attention. 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.


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.

Symptoms Following Exposure: Headache, dizziness, nausea, irritation to respiratory passages.|THERE ARE NO REPORTS OF SYSTEMIC INJURY BY.../HEXYL ACETATE/...|... Human subjects exposed to sec-hexyl acetate noted irritation of the eyes and upper respiratory tract and an unpleasant odor and taste at 100 ppm.

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; headache; In Animals: narcosis


Cough. Sore throat.


Redness.


Redness.

Eyes, skin, respiratory system, central nervous system

4-Methyl-2-pentyl acetate Use and Manufacturing

Methods of Manufacturing

CATALYTIC REACTION OF 4-METHYL-2-PENTANOL AND ACETIC ACID

Production

(1972) GREATER THAN 4.54X10+5 G|(1974) PROBABLY GREATER THAN 9.08X10+5 G

GRADES OR PURITY: 95-99+%|GRADE: TECHNICAL

2-Pentanol, 4-methyl-, 2-acetate: ACTIVE

NIOSH METHOD 1450; MATRIX: AIR. PROCEDURE: ADSORPTION ON CHARCOAL, DESORPTION WITH CARBON DISULFIDE, GC. RANGE: 143-601 MG/CU M /ACETATE ESTERS/|NIOSH Method 1450. Determination of Esters I by Gas Chromatography with Flame Ionization Detection. GCFID, workplace air, detection limit 2.0 mg/cu m.

Fire Hazards -> Flammable - 2nd degree

Computed Properties

Molecular Weight:144.21
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:144.115029749
Monoisotopic Mass:144.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:108
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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