기본 정보
- CAS
10031-87-5- 표준 SMILES
CCC(CC)COC(C)=O- InChIKey
HQLKZWRSOHTERR-UHFFFAOYSA-N- 분자식
- C8H16O2
- 평균 분자량
- 144.21 g/mol
- 단동위원소 질량
- 144.11502975
개요
2-ethylbutyl acetate appears as a clear colorless liquid. Denser than water and insoluble in water. Vapors heavier than air.
이름 및 식별자
- 우선 이름
- 2-Ethylbutyl acetate
- IUPAC
- 2-ethylbutyl acetate
- 현지명
- 아세트산2-에틸부틸에스테르
- 영어명
- 2-Ethylbutyl acetate
- 분자식
- C8H16O2
- 분자량
- 144.21
이름 및 동의어
2-Ethylbutyl acetateAcetic acid, 2-ethylbutyl ester2-ethyl butyl acetatebeta-Ethylbutyl acetateUNII-R7S9T22253HQLKZWRSOHTERR-UHFFFAOYSA-EINECS 233-095-4R7S9T22253DTXSID50649162-ETHYL BUTYL ACETATE [FHFI]RefChem:86949DTXCID6032516
이름 더 보기
2-에틸뷰틸아세테이트2-에틸부틸아세트산2-에틸부틸아세테이트2-에틸뷰틸아세트산아세트산2-에틸부틸에스테르2-에틸뷰틸아세트산(2-ETHYLBUTYLACETATE)2-에틸뷰틸 아세테이트FEMA 24252-EthylbutylAcetate>2-ETHYLBUTYL ACETATE 98+%Acetic acid ethylbutyl ester2-Ethylbutyl Acetate, ≥ 98.0%2-Ethylbutyl acetate USP/EP/BP
233-095-4CAPROIC ACID ETHYL ESTERETHYL BUTYL ACETATEETHYLBUTYL ACETATEHQLKZWRSOHTERR-UHFFFAOYSA-NInChI=1/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H310031-87-5Acetic Acid 2-Ethylbutyl Ester
데이터베이스 식별자
- CAS
10031-87-5- PubChem CID
- 61448
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 95.4
실험 및 물리화학적 성질
SpringerMaterials PropertiesDensity
FragrancesFragrance Ingredient (2-Ethylbutyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.8784 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
6.4 mg/mL at 20 °C
(in ethanol)
Flash Point130 °F (NFPA, 2010)
Boiling Point
161.00 to 163.00 °C. @ 740.00 mm Hg
160-163 °C
Melting Point< -100 °C
Refractive Index1.4109
Physical Description
2-ethylbutyl acetate appears as a clear colorless liquid. Denser than water and insoluble in water. Vapors heavier than air.
Liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Acetic acid, 2-ethylbutyl ester
Acetic acid, 2-ethylbutyl ester: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
DOT ID and Guide1177 130
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity AlertsHighly Flammable
Reactivity Profile
2-ETHYLBUTYL 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.
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationAcetic acid, 2-ethylbutyl ester: ACTIVE
응용 분야
용도Solvent for nitrocellulose lacquers, flavoring.2-Ethylbutyl acetate is comparatively stable against hydrolysis, and finds therefore some use in soap Perfumery to lend fruity notes and lift to the ponion of the composition. It blends well with aldehydic and rosy fragrance types, and supports Geranium, Lavender or minty notes excellently.Traces of the ester arc occasionally used in flavor compositions for fruit complexes, etc. Usually about 5 to 8 ppm in the finished product.
일반 설명A clear colorless liquid. Flash point 130°F. Denser than water and insoluble in water. Vapors heavier than air.
제조 방법
By reacting 2-ethylbutanol with acetic anhydride or acetic acid in the presence of sulfuric acid.
상·하류 제품 정보
상류 원료
공급사43 곳
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…