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HCID 7635Erstellt: 31. Oktober 2026

2-Ethylhexyl Acetate

https://huagongshe.com/de/chemical/7635

Molekülstruktur von 2-Ethylhexyl Acetate

Identifikatoren & physikalische Daten

CAS No.103-09-3
SummenformelC10H20O2
Durchschnittliche Molmasse172,26 g/mol
Monoisotopische Masse172,14632988 g/mol
SMILESCCCCC(CC)COC(C)=O
InChIKeyWOYWLLHHWAMFCB-UHFFFAOYSA-N
PubChem CID7635
ChEMBLCHEMBL1879713
ChEBICHEBI:87392
EC No.203-079-1
DTXSIDDTXSID8026694

Chemische & physikalische Eigenschaften

XLogP3,2
Polarare Oberfläche (TPSA)26,3
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen7
Schwere Atome12
Formalladung0
Komplexität121
SolventsSolvents -> Esters (<C12)
DuftstoffeFragrance Ingredient (2-Ethylhexyl acetate) -> IFRA transparency List
Dichte0.873 at 68 °F (USCG, 1999) - Less dense than waterwill floatSp gr: 0.8718 @ 20 °C/20 °C0.8718 g/cm3
AromastoffeEU Flavoring substances
Color/FormWATER-WHITE STABLE LIQUID
LöslichkeitVERY SLIGHTLY SOL IN WATERMISCIBLE WITH ALCOHOL, OILS, & OTHER ORG SOLVENTSSOL IN ETHER, ETHANOL, VERY SLIGHTLY SOLUBLE IN WATER
Flammpunkt160 °F (USCG, 1999)82.2 °C88 °C (OPEN CUP)13 °C (CLOSED CUP)
Siedepunkt378 °F at 760 mmHg (USCG, 1999)199 °C
DecompositionWhen heated to decomposition it emits acrid smoke and irritating flames.
Schmelzpunkt-80 °C
Dampfdichte5.93 (AIR= 1)
GeruchsschwelleOdor Threshold Low: 0.07 [ppm]0.51 mg/cu m (odor low)1.47 mg/cu m (odor high).

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 18.4% (399 of 2166) of reports.WarningH315 (81.5%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 2166 reports by companies from 5 notifications to the ECHA C&L Inventory.
Regulatorische InformationenChemical: Acetic acid, 2-ethylhexyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Acetic acid, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-ethylhexyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: 2-ethylhexyl acetate (EC: 203-079-1)2-Ethylhexyl acetate: Does not have an individual approval but may be used under an appropriate group standard
DOT-KennzeichnungCombustible Liquid
BrandgefahrenSpecial Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon monoxide, may be formed when involved in fire. (USCG, 1999)
BrandpotenzialFIRE HAZARD: MODERATE, WHEN EXPOSED TO HEAT OR FLAMECAN REACT WITH OXIDIZING MATERIALS.
GesundheitsgefahrenProlonged skin contact may cause irritation. (USCG, 1999)
GefahrenübersichtA moderate skin and eye irritant[HSDB] May cause eye, nose and throat irritationInhalation of high concentrations can cause CNS depression[CHEMINFO] An irritant[MSDSonline] See ORGANIC SOLVENTS.
Reaktive GruppeEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Special ReportsOPDYKE DL JFOOD COSMET TOXICOL 17(SUPPL) 779 (1979). REVIEW WITH 10 REF ON TOXICITY, INHALATION, IRRITATION, SENSITIZATION & NUTRITION.
Reactivity ProfileETHYLHEXYL 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).
Flammable LimitsLOWER 0.76%, UPPER 8.14% BY VOLUME
Air and Water ReactionsInsoluble in water.
NFPA Hazard Classification2 - 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.
BrandbekämpfungExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Erste HilfeGet medical attention.
Expositionsschutz und Persönliche Schutzausrüstung10.0 [ppm]
BrandbekämpfungsverfahrenFOAM, CARBON DIOXIDE, DRY CHEMICAL
Freisetung ohne BrandExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
EntsorgungsverfahrenSRP: 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.
Preventive MeasuresSRP: 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.
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE)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)
Körperbelastung2-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).
UmweltverhaltenTERRESTRIAL 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).
Lebensmitteluntersuchungswerte2-Ethylhexyl acetate was identified, not quantified, in nectarines(1).
Unerwünschte WirkungenNeurotoxin - Acute solvent syndrome
Soil Adsorption/MobilityThe 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).
Human Toxicity ExcerptsMODERATE IRRITATION OF SKIN & EYES.
Artificial Pollution Sources2-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).
Environmental BiodegradationAlthough no biodegradation studies have been performed on 2-ethylhexyl acetate, studies on structurally similar compounds(1-3) have shown that, in general, alkyl acetates are biodegradable in both terrestrial and aquatic environments(SRC).
Environmental BioconcentrationAn 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).
Volatilization from Water/SoilThe 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).
Non-Human Toxicity ExcerptsINHALATION OF CONCN VAPOR OF 2-ETHYLHEXYL ACETATE FOR DURATION OF 15 MIN WAS NONLETHAL TO RATS. /FROM TABLE/... MODERATELY IRRITANT ... IT CAN BE FATAL WITH ORAL ADMIN BUT NOT BY INHALATION OF SATURATED AIR-VAPOR MIXTURES.LETHAL DOSE ... BY SKIN ABSORPTION, FOR GUINEA PIGS, GREATER THAN 20,000 UG/L.A study was conducted to assess ... the potential .. effects of ... octyl-acetate, particularly to assess its subchronic toxicity in male and female Sprague-Dawley rats during a 90 day gavage study. Rats were dosed once daily, 5 days per week for 13 weeks. Treated rats were given octyl-acetate at doses of 0.1, 0.5, or 1.0 g/kg. The results indicated that a low degree of toxicity is associated with subchronic oral exposures. marginal effects on body wight and food consumption were noted in the high dose group. Increased liver weight and mild nephropathy were also noted in high dose animals. However, they were thought to be of minimal toxicological significance. No evidence of significant systemic toxicity was noted in the mid or low dose groups. The increase in liver weight sin the absence of any evidence of microscopic pathology suggested that this was not a true toxic event, but rather a compensatory response... The growth of the liver in these cases was seen as a response to an increased functional load. The authors conclude that a low degree of toxicity is associated with subchronic oral exposure to octyl-acetate.The effects of in-utero exposure to octyl-acetate on fetal development were investigate in Sprague-Dawley rats. Females were mated and assigned to groups receiving oral doses of octyl-acetate in doses of 0, 0.1, 0.5, or 1.0 g/kg of body weight. Maternal rats were monitored for body weight and food consumption. Animals were necropsied on gestational day 20, and fetuses were removed and examined. Maternal rats in the high dose group showed reduced body weight from the ninth gestational day to the end of the study period. Dose dependent reduction in food consumption was noted, especially during gestation days six to nine. No significant differences were found between treated and control animals in resorptions, or fetal weight, viability, or malformation. An increased incidence of fetal malformation observed in the high dose groups was significant in terms of proportion of rats from the litters in this group which were malformed, and the number of litters with at least one malformed fetus. ... in rats, octyl-acetate is maternally toxic, and that, although some fetal malformation as found at the 1.0 g/kg dose, it is not a developmental toxicant.
Environmental Abiotic DegradationThe 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).
AlarmwortWarnung
GefahrenhinweiseCode Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315