Ethyl 2-octenoate, (2E)-
기본 정보
- CAS
2351-90-8- 표준 SMILES
CCCCC/C=C/C(=O)OCC- InChIKey
AISZSTYLOVXFII-CMDGGOBGSA-N- 분자식
- C10H18O2
- 평균 분자량
- 170.25 g/mol
- 단동위원소 질량
- 170.13067981
개요
Ethyl 2-octenoate is the fatty acid ethyl ester of 2-octenoic acid. It has a role as a metabolite.
이름 및 식별자
- 우선 이름
- Ethyl 2-octenoate, (2E)-
- IUPAC
- ethyl (E)-oct-2-enoate
- 영어명
- Ethyl trans-2-octenoate
- 분자식
- C10H18O2
- 분자량
- 170.25
이름 및 동의어
ethyl trans-2-octenoate7367-82-0Ethyl (E)-oct-2-enoate2351-90-8Ethyl 2-octenoate2-Octenoic acid, ethyl esterEthyl oct-2-enoateEthyl 2-octenoate, trans-FEMA No. 36432-Octenoic acid, ethyl ester, (E)-Ethyl 2-octenoate, (2E)-2-Octenoic acid, ethyl ester, (2E)-
이름 더 보기
FEMA 3643ETHYL T2 OCTENOATERARECHEM AL BI 0153Ethyl (2E)-2-octenoate
EINECS 230-913-144BPD919TXEINECS 219-087-3AI3-36708CHEBI:87325DTXSID701020036ETHYL TRANS-2-OCTENOATE [FHFI]DTXSID5062344
데이터베이스 식별자
- CAS
2351-90-8、7367-82-0- PubChem CID
- 5364399
- DTXSID
DTXSID701020036- ChEBI
CHEBI:87325- UNII
- 44BPD919TX
- EC Number
- 219-087-3、230-913-1
- Nikkaji
- J212.364I、J213.208G
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 139
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Ethyl oct-2-enoate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.888-0.894 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in fats
Soluble (in ethanol)
Boiling Point93-96 °C (10 mm Hg)
Refractive Index1.439-1.445
Physical DescriptionLiquid; Green-fruity aroma
물리화학적 성질
- 끓는 점
- 222 °C · 222 °C(lit.)
- 밀도
- 0.883 g/mL · 0.883 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.4410(lit.)
- FEMA
- 3643 · 3643 | ETHYL TRANS-2-OCTENOATE
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 98.6% (139 of 141) of all reports.
Not Classified
Aggregated GHS information provided per 141 reports by companies from 2 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2-Octenoic acid, ethyl ester
Chemical: 2-Octenoic acid, ethyl ester, (E)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Octenoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
2-Octenoic acid, ethyl ester, (2E)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Octenoic acid, ethyl ester: Environment tier I assessment
Hazard Classes and Categories
Not Classified
Not Classified
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- 기존화학 물질
- KE-13988
화학 및 산업
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Octenoic acid, ethyl ester: ACTIVE
추가 설명
정의ChEBI: The fatty acid ethyl ester of 2-octenoic acid.
관련 반응
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