2-Ethylhexyl acetate
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2-Ethylhexyl acetate
structure -
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CAS No:
103-09-3
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Formula:
C10H20O2
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Chemical Name:
2-Ethylhexyl acetate
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Synonyms:
Acetic acid,2-ethylhexyl ester;1-Hexanol,2-ethyl-,acetate;2-Ethylhexyl acetate;2-Ethyl-1-hexyl acetate;2-Ethyl-1-hexanol acetate;Octyl acetate;β-Ethylhexyl acetate;NSC 8897;OctASOLV;12261-98-2
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CAS No:
Description
Liquid
Ethylhexyl acetate appears as a water-white liquid. Insoluble in water and is less dense than water. Flash point 180°F. Used as a solvent and in perfumes. Liquid or vapors may irritate skin and eyes. Vapors have a fruity, pleasant odor.|Liquid|A water-white liquid.
Ethylhexyl acetate appears as a water-white liquid. Insoluble in water and is less dense than water. Flash point 180°F. Used as a solvent and in perfumes. Liquid or vapors may irritate skin and eyes. Vapors have a fruity, pleasant odor.|2-ethylhexyl acetate is an acetate ester that is hexyl acetate substituted by an ethyl group at position 2. It has a role as a metabolite. It derives from a hexan-1-ol.
2-Ethylhexyl acetate Basic Attributes
172.26
172.26
1758321
203-079-1
8897
1993
DTXSID8026694
WATER-WHITE STABLE LIQUID
29153990
Characteristics
26.3
3.2
Clear colorless Liquid
0.8718 g/cm3 @ Temp: 20 °C
-80 °C
199 °C
185 °F
1.421
water: slightly soluble 0.0039 g/L
Store below +30°C.
0.23 mm Hg at 25 deg C /from experimentally derived coefficients/
5.93 (AIR= 1)
Oral-Rat LD50: 3000 mg/kg; Oral-Mouse LD50: 3200 mg/kg
Flammable; burning produces irritating fumes
0.76-8.14%(V)
CONVERSION FACTORS: 1 PPM= 7.0 MG/CU M; 1 MG/L= 142 PPM
Insoluble in water.
Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
ETHYLHEXYL 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. Contact with strong oxidizers may cause vigorous reaction (USCG, 1999).
515 °F (268 °C)
LOWER 0.76%, UPPER 8.14% BY VOLUME
Safety Information
1993
1
36/37/38-38
26-36
AH5600000
Xi
Warehouse ventilated, low temperature and dry
Mixed with air, can be exploded by heat and open flame
Stable under normal temperatures and pressures.
P264, P280, P302+P352, P321, P332+P313, P362
H315
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.
OPDYKE DL J; FOOD COSMET TOXICOL 17(SUPPL) 779 (1979). REVIEW WITH 10 REF ON TOXICITY, INHALATION, IRRITATION, SENSITIZATION & NUTRITION.
Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon monoxide, may be formed when involved in fire. (USCG, 1999)
|Warning|H315 (99.95%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P321, P332+P313, and P362|Aggregated GHS information provided by 2237 companies from 5 notifications to the ECHA C&L Inventory.
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)
Impervious clothing and gloves should be used to prevent skin contact. Where splashing is possible wear full face shield or chemical safety goggles. Use approved respirator to protect against vapors. (USCG, 1999)
FIRE HAZARD: MODERATE, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT WITH OXIDIZING MATERIALS.
FOAM, CARBON DIOXIDE, DRY CHEMICAL
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.
MODERATE IRRITATION OF SKIN & EYES.
| 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.| 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
moderately toxic
LD50 Rat oral 3.0 g/kg
2-Ethylhexyl acetate's production and use as a solvent for nitrocellulose, resins and lacquers may lead to its release to the environment through various waste streams(1,SRC). In 1977, 1 million pounds of ethylhexyl acetate were produced in the United States(2). Ethylhexyl acetate has been used as a high boiling solvent used to promote flow and retard blushing in lacquers, emulsions, and silk screen inks, and as a flow control agent in baking enamels(3). It can also be used as a dispersant for vinyl organosols and as a coalescing agent for latex paints(3).|2-Ethylhexyl acetate's production and use as a solvent for nitrocellulose, resins and lacquers may lead to its release to the environment through various waste streams(1,SRC).
TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 2,500(SRC), determined from an estimated log Kow of 3.74(2,SRC) and a recommended regression-derived equation(3), indicates that 2-ethylhexyl acetate is expected to have slight mobility in soil(SRC). Volatilization of 2-ethylhexyl acetate is expected from moist soil surfaces(SRC) given its estimated Henry's Law constant of 1.5X10-3 atm-cu m/mole(SRC) using a fragment constant estimation method(4). Volatilization from dry soil surfaces is expected based on a vapor pressure of 0.23 mm Hg at 25 °C(5). Although no biodegradation studies have been performed on 2-ethylhexyl acetate, studies on structurally similar compounds(6-8) have shown that, in general, alkyl acetates are biodegradable(SRC).|AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 2,500(SRC), determined from an estimated log Kow of 3.74(2) and a recommended regression-derived equation(3), indicates that 2-ethylhexyl acetate is expected to adsorb to suspended solids and sediment in water(SRC). 2-Ethylhexyl acetate is expected to volatilize from water surfaces(3,SRC) based on an estimated Henry's Law constant of 1.5X10-3 atm-cu m/mole(SRC) using a fragment constant estimation method(4). Estimated volatilization half-lives for a model river and model lake are 5 and 130, hours respectively(4,SRC). According to a classification scheme(5), an estimated BCF value of 400(3,SRC), from its log Kow(2), suggests that bioconcentration in aquatic organisms is high(SRC). Hydrolysis is expected to occur slowly based upon estimated hydrolysis half-lives of 3 years and 122 days at pH 7 and 8 respectively(6,SRC). Although no biodegradation studies have been performed on 2-ethylhexyl acetate, studies on structurally similar compounds(7-9) have shown that, in general, alkyl acetates are biodegradable(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-ethylhexyl acetate, which has a vapor pressure of 0.23 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-ethylhexyl 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 35 hours(3,SRC).
The rate constant for the vapor-phase reaction of 2-ethylhexyl acetate with photochemically-produced hydroxyl radicals has been estimated as 1.1X10-11 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 35 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). A base-catalyzed second-order hydrolysis rate constant of 0.07 L/mol-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 3 years and 122 days at pH 7 and 8 respectively(2,SRC).
An estimated BCF value of 400 was calculated for 2-ethylhexyl acetate(SRC), using an estimated log Kow of 3.74(1) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is high(SRC).
The Koc of 2-ethylhexyl acetate is estimated as approximately 2,500(SRC), using an estimated log Kow of 3.74(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that 2-ethylhexyl acetate is expected to have slight mobility in soil(SRC).
The Henry's Law constant for 2-ethylhexyl acetate was estimated as 1.5X10-3 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that 2-ethylhexyl acetate will volatilize from water surfaces(2,SRC). 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) is estimated as approximately 5 hours(2,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 130 hours(2,SRC). 2-Ethylhexyl acetate's Henry's Law constant(1) indicates that volatilization from moist soil surfaces is expected(SRC). 2-Ethylhexyl acetate is expected to volatilize from dry soil surfaces based on a vapor pressure of 0.23 mm Hg at 25 °C(3).
DRINKING WATER: 2-Ethylhexyl acetate was listed as a compound detected in US drinking water supplies(1).
2-Ethylhexyl acetate was identified, not quantified, in nectarines(1).
NIOSH (NOES Survey 1981-1983) has statistically estimated that 2,499 workers (175 of these are female) are potentially exposed to 2-ethylhexyl acetate in the US(1). Occupational exposure may be through inhalation of vapors and dermal contact with this compound at workplaces where 2-ethylhexyl acetate is produced or used(SRC). The general population may be exposed to 2-ethylhexyl acetate through the ingestion of food sources(SRC).
2-Ethylhexyl acetate was detected in 4.1% of 387 expired air samples obtained from 54 non-smoking volunteers from Chicago, IL, at a mean concentration of 0.168 ng/l(1).
Drug Information
... CAN BE ABSORBED BY SKIN OF ANIMALS.
Prolonged skin contact may cause irritation. (USCG, 1999)
Get medical attention. INHALATION: Remove to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen. EYES: Flush with water for at least 15 min., lifting lids occasionally. SKIN: Remove contaminated clothing and shoes. Flush with water. INGESTION: Have the victim drink water or milk. (USCG, 1999)
MODERATE IRRITATION OF SKIN & EYES.
2-ethyl-hexylacetate
2-Ethylhexyl acetate Use and Manufacturing
Solvent for nitrocellulose, some resins, waxes, and oils.
Intermediates
Paints and coatings
GRADE: TECHNICAL (ABOUT 95%).
All other basic organic chemical manufacturing|Acetic acid, 2-ethylhexyl ester: ACTIVE
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:172.26
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:172.146329876
Monoisotopic Mass:172.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:121
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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