기본 정보
- 표준 SMILES
CCCC=CC(=O)OC- InChIKey
GFUGBRNILVVWIE-UHFFFAOYSA-N- 분자식
- C7H12O2
- 평균 분자량
- 128.17 g/mol
- 단동위원소 질량
- 128.08372962
개요
Methyl 2-hexenoate has been reported in Annona muricata and Carica papaya with data available.
이름 및 식별자
- 우선 이름
- Methyl 2-hexenoate
- IUPAC
- methyl hex-2-enoate
이름 및 동의어
methyl hex-2-enoate2-Hexenoic acid, methyl ester2396-77-2Methyl beta-propylacrylateUNII-Q6M9281R5YFEMA No. 2709AI3-36590DTXSID2062375Q6M9281R5YMethyl hex-2-enoic acidRefChem:157339DTXCID5036975
이름 더 보기
(E,Z)-METHYL 2-HEXENOATEMETHYL 2-HEXENOATE [FHFI]METHYL 2-HEXENOATE, (2E,2Z)-607-296-6925-056-1METHYL 2-HEXENOATEMFCD00048798methyl hexaenoate
데이터베이스 식별자
- CAS
2396-77-2- PubChem CID
- 61310
- DTXSID
DTXSID2062375- EC Number
- 607-296-6、925-056-1
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
- 4
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 105
실험 및 물리화학적 성질
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.911-0.916
Flavoring AgentsEU Flavoring substances
Solubility
Very slightly soluble in water; soluble in oils
Soluble (in ethanol)
Boiling Point168-170 °C
Refractive Index1.423-1.429
Physical DescriptionColourless mobile liquid; Fruity aroma
안전 및 규제
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 156 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2-Hexenoic acid, methyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Hexenoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
화학 및 산업
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Hexenoic acid, methyl ester: ACTIVE
관련 반응
2건
연결된 노트
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