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HCID 7997생성일: 2026년 10월 26일

Propyl Acetate

https://huagongshe.com/ko/chemical/7997

Propyl Acetate 분자 구조식

식별자 및 물리적 특성

CAS No.109-60-4
분자식C5H10O2
평균 분자량102.13 g/mol
단동위원소 질량102.06807956 g/mol
SMILESCCCOC(C)=O
InChIKeyYKYONYBAUNKHLG-UHFFFAOYSA-N
PubChem CID7997
ChEMBLCHEMBL44857
ChEBICHEBI:40116
EC No.203-686-1
DTXSIDDTXSID6021901

화학 및 물리적 성질

XLogP1.2
극성 표면적26.3
수소 결합 공여자 수0
수소 결합 수용자 수2
회전 가능 결합 수3
무거운 원자 수7
형식 전하0
복잡도59.1
물질 분류Flammable agents - 3rd degreeVolatile Organic Compound (VOC)
의약품Pharmaceuticals -> Listed in ZINC15
SolventsSolvents -> Esters (<C12)
화장품Cosmetic ingredients (Propyl Acetate) -> CIR (Cosmetic Ingredient Review)Solvent
SpringerMaterials PropertiesBoiling point
향료Fragrance Ingredient (Propyl acetate) -> IFRA transparency List
LogP(분배 계수)log Kow = 1.241.11
냄새Pleasant odorOdor of pearsMild, fruity odor
맛Pleasant, bittersweet flavor reminiscent of pear on dilution.
식품 첨가물FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
밀도0.886 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8820 g/cu cm at 25 °CBulk density: 7.36 lb/galRelative density (water = 1): 0.90.880-0.8860.840.836 g/cm3
향미제EU Flavoring substances
녹는점-93 °C
끓는 점101.5 °C

안전 및 규제

GHS 분류DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.4% (11 of 3068) of reports.H225 (99.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]
규제 정보Chemical: Acetic acid, propyl esterRegulation (EC) No 1831/2003 (amended)Acetic acid, propyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, propyl 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)Status: Active Update: 17-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14329Acetic acid, propyl ester: HSNO Approval: HSR001217 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
기타 안전 정보IMAP assessments - Acetate esters (C2-C4): Human health tier II assessment
운송 라벨(DOT)Flammable Liquid
화재 위험Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Vapour/air mixtures are explosive.
화재 가능성A flammable liquid and dangerous fire hazard when exposed to heat, flame, or oxidizers.
건강 유해성Contact with skin and eyes causes no serious injury. High vapor concentrations will be irritating and will cause nausea, vomiting, and dizziness, with final loss of consciousness. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin.
유해성 요약Esters may induce narcosis in animals, but workers' exposures are limited by irritating effects. See appendix in: [Dick RB, et al. Chemicals in the workplace: incorporating human neurobehavioral testing into the regulatory process. Am J Ind Med. 1998 May33(5):439-53.] A skin, eye, and respiratory tract irritantInhalation of high concentrations can cause CNS depression[ICSC]
운송 번호 및 가이드(DOT)1276 129
FDA 요건Propyl acetate 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.
반응성 그룹Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
EC 분류Symbol: F, XiR: 11-36-66-67S: (2)-16-26-29-33
UN 분류UN Hazard Class: 3UN Pack Group: II
소화Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:Use alcohol-resistant foam, foam, powder, carbon dioxide, fine water spray. In case of fire: keep drums, etc., cool by spraying with water.
응급 조치Fresh air, rest. Refer for medical attention.Rinse contaminated clothes (fire hazard) with plenty of water. Remove contaminated clothes. 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.Rinse mouth. Refer for medical attention .
누출 비상 조치· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
응급 처치Excerpt from NIOSH Pocket Guide for n-Propyl acetate:General First Aid:(General first aid procedures)
안전 보관Fireproof. Separated from strong oxidants, strong bases and strong acids. Store in an area without drain or sewer access.
Firefighting HazardsVapors may travel long distances to ignition source and flashback. Vapors in confined areas may explode when exposed to fire.
노출 관리 및 개인 보호· Wear positive pressure self-contained breathing apparatus (SCBA).100.0 [ppm]
소화 절차If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities of 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 "alcohol foam, dry chemical or carbon dioxide.
보관 조건Store in tightly closed containers in a cool, well ventilated area away from heat. n-Propyl acetate will dissolve some plastics and resins.
정리 방법1. REMOVE ALL IGNITION SOURCES. 2. VENTILATE AREA OF SPILL OR LEAK. 3. FOR SMALL QUANTITIES, ABSORB ON PAPER TOWELS. EVAPORATE IN SAFE PLACE (SUCH AS FUME HOOD). ALLOW SUFFICIENT TIME FOR EVAPORATING VAPORS TO COMPLETELY CLEAR THE HOOD DUCTWORK. BURN PAPER IN SUITABLE LOCATION...3. LARGE QUANTITES CAN BE COLLECTED & ATOMIZED IN SUITABLE COMBUSTION CHAMBER. N-PROPYL ACETATE SHOULD NOT BE ALLOWED TO ENTER A CONFINED SPACE, SUCH AS SEWER, BECAUSE OF POSSIBILITY OF AN EXPLOSION.
비화재 누출 대응Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
처리 방법SRP: 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 qualitypotential migration in soil or watereffects on animal and plant lifeand conformance with environmental and public health regulations.1. BY ABSORBING IT IN VERMICULITE, DRY SAND, EARTH OR A SIMILAR MATERIAL & DISPOSING IN SECURED SANITARY LANDFILL. 2. BY ATOMIZING IN SUITABLE COMBUSTION CHAMBER.Propyl acetate is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration.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.The following wastewater treatment technologies have been investigated for propyl acetate: Concentration process: Activated carbon.
체내 부담n-Propyl acetate was detected in 49.4% of 387 expired air samples obtained from 54 non-smoking volunteers from Chicago, IL, at a mean concentration of 2.4 ng/L(1). n-Propyl acetate was described as a normal component of expired air(2). n-Propyl acetate was detected in 4 out of 10 expired air samples taken from 8 smoking and non-smoking male volunteers from TX, at concentrations ranging from trace to 2.0 ug/hr, averaging 1.39 ug/hr for the positive samples(3).
표적 장기Eyes, skin, respiratory system, central nervous system
생태독성 수치LC50Species: Chlorococcales (Green Algae Order)Conditions: freshwater, staticConcentration: 1000000 ug/L for 24 hr /formulation/Species: Daphnia magna (Water Flea) age < or =24 hrConditions: freshwater, static, 20-22 °CConcentration: 511000 ug/L for 24 hr /formulation/Species: Pimephales promelas (fathead minnow)Concentration: 60 mg/L for 96 hr (confidence limit 56-64 mg/L) /Conditions of bioassay not specified/EC50Concentration: 60 mg/L for 96 hr (Confidence limit 56-64 mg/L)Effect: Affected fish lost equilibrium prior to death /Conditions of bioassay not specified/For more Ecotoxicity Values (Complete) data for N-PROPYL ACETATE (6 total), please visit the HSDB record page.
환경 거동TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 10(SRC), determined from a structure estimation method(2), indicates that n-propyl acetate is expected to have very high mobility in soil(SRC). Volatilization of n-propyl acetate from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 2.18X10-4 atm-cu m/mole(3). n-Propyl acetate is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 35.9 mm Hg at 25 °C(4). A 81.0% of theoretical BOD using activated sludge in the Japanese MITI test(5) suggests that biodegradation is an important environmental fate process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 10(SRC), determined from a structure estimation method(2), indicates that n-propyl acetate 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 2.18X10-4(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 7 hours and 5.2 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow of 1.24(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). n-Propyl acetate gave a 5- and 10-day theoretical BOD of 62% and 80%, respectively, using a settled domestic wastewater seed(8). When the same inoculum was added to sea water, n-propyl acetate 5- and 10-day theoretical BOD was 50% and 70%(8), indicating biodegradation in water is important(SRC). Hydrolysis is expected to occur slowly based on hydrolysis half-lives of about 3 years, 119 days and 12 days at pH 7, 8 and 9, respectively(9).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), n-propyl acetate, which has a vapor pressure of 35.9 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase n-propyl 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 4.7 days(SRC), calculated from its rate constant of 3.4X10-12 cu cm/molecule-sec at 25 °C(3). n-Propyl acetate does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).
식품 조사 수치n-Propyl acetate was identified, not quantified as a component of concord grape juice essence(1), as a volatile flavor component of Beaufort cheese(2), ripening bananas(3), Kogyoke apples(4) and pork(5). n-Propyl acetate was identified as a volatile component of the blended fruit of nectarines, and also in a head-space analysis of the intact fruit(6). n-Propyl acetate was detected at a concentration of 6.5 ppb in fresh grapefruit juice(7).
유해 작용Neurotoxin - Acute solvent syndrome
노출 경로The substance can be absorbed into the body by inhalation of its vapour.inhalation, ingestion, skin and/or eye contact
독성 요약Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Signs and SymptomsCough. Sore throat. Headache. Drowsiness.Redness. Dry skin.In Animals: irritation eyes, nose, throatnarcosisdermatitis
Effluent Concentrationsn-Propyl acetate was detected as gaseous emission from the production of RDX at the Holston Army Ammunition Plant, TN, (date not provided) at an emission rate of 1,134 lbs/day(1). n-Propyl acetate was detected in the effluent of a printing plant located in the US at a concentration of 226 pounds during a 1 month operating period(2). n-Propyl acetate was identified, not quantified, in the volatile emissions of thinning solvents(3), common garden and household waste(4-5) and a liquid wax(6). UK emissions of n-propyl acetate were reported as 0.0013% by mass distribution in 1990(7).
ICSC Environmental DataThe substance is harmful to aquatic organisms.
Soil Adsorption/MobilityUsing a structure estimation method based on molecular connectivity indices(1), the Koc of n-propyl acetate can be estimated to be 10(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-propyl acetate is expected to have very high mobility in soil.
신호 어Danger
유해·위험 문구암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H225