기본 정보
- CAS
2396-83-0- 표준 SMILES
CC/C=C/CC(=O)OCC- InChIKey
VTSFIPHRNAESED-AATRIKPKSA-N- 분자식
- C8H14O2
- 평균 분자량
- 142.2 g/mol
- 단동위원소 질량
- 142.09937969
개요
Ethyl 3-hexenoate is a fatty acid ethyl ester of 3-hexenoic acid. It has a role as a metabolite. It is functionally related to a 3-hexenoic acid.
이름 및 식별자
- 우선 이름
- Ethyl 3-hexenoate
- IUPAC
- ethyl (E)-hex-3-enoate
- 현지명
- 에틸3-헥세노에이트
- 영어명
- ETHYL 3-HEXENOATE
- 분자식
- C8H14O2
- 분자량
- 142.2
이름 및 동의어
Ethyl hex-3-enoateETHYL 3-HEXENOATE2396-83-026553-46-8ethyl (E)-hex-3-enoateEthyl trans-3-hexenoate3-Hexenoic acid, ethyl esterEthyl hydrosorbate3-Hexenoic acid, ethyl ester, (3E)-Ethyl (E)-3-hexenoate3-Hexenoic acid, ethyl ester, (E)-FEMA No. 3342
이름 더 보기
에틸3-헥세노에이트FEMA 3342ETHYL CIS-3-HEXENOATEETHYL T3 HEXENOATEEthyl trans-hex-3-enoate(E)-3-hexyleneacidethyl ester(E)-3-Hexenoic acid ethyl ester
Ethyl (E)hex-3-enoateEthyl 3-hexenoate (natural)EINECS 219-257-7EINECS 247-798-9U53D99S694CHEBI:87560DTXSID70885361ETHYL 3-HEXENOATE [FHFI]
데이터베이스 식별자
- CAS
2396-83-0、26553-46-8- PubChem CID
- 5362622
- DTXSID
DTXSID70885361- ChEBI
CHEBI:87560- UNII
- U53D99S694
- EC Number
- 219-257-7、247-798-9
물성
구조 계산 물성
- XLogP
- 1.9
- 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
- 116
실험 및 물리화학적 성질
Fragrances
Fragrance Ingredient (Ethyl (E)hex-3-enoate) -> IFRA transparency List
Fragrance Ingredient (Ethyl 3-hexenoate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.897-0.901 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point63-64 °C (12 mm Hg)
Refractive Index1.424-1.428
Physical Descriptioncolourless liquid
물리화학적 성질
- 끓는 점
- 63 · 63-64 °C12 mm Hg(lit.)
- 밀도
- 0.896 g/mL · 0.896 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.426(lit.)
- 인화점
- 139 °F · 139 °F
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 9.7% (138 of 1425) of reports.
Warning
H226 (90.3%): 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 1425 reports by companies from 2 notifications to the ECHA C&L Inventory.
Warning
유해성 정보
Regulatory Information
Chemical: 3-Hexenoic acid, ethyl ester
Chemical: 3-Hexenoic acid, ethyl ester, (E)-
Regulation (EC) No 1831/2003 (amended)
3-Hexenoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
3-Hexenoic acid, ethyl ester, (3E)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flam. Liq. 3 (90.3%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 3
- 기존화학 물질
- KE-19860
화학 및 산업
용도 및 제조
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
3-Hexenoic acid, ethyl ester: ACTIVE
3-Hexenoic acid, ethyl ester, (3E)-: ACTIVE
공급사11 곳
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
BOC Sciences[email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
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