기본 정보
- CAS
35852-46-1- 표준 SMILES
CC/C=C\CCOC(=O)CCCC- InChIKey
XPFTVTFOOTVHIA-ALCCZGGFSA-N- 분자식
- C11H20O2
- 평균 분자량
- 184.27 g/mol
- 단동위원소 질량
- 184.14632988
개요
Cis-3-Hexenyl pentanoate is a fatty acid ester.
이름 및 식별자
- 우선 이름
- Hexenyl valerate, (3Z)-
- IUPAC
- [(Z)-hex-3-enyl] pentanoate
- 현지명
- N-발레르산CIS-3-HEXEN-1-YL에스테르
- 영어명
- N-VALERIC ACID CIS-3-HEXEN-1-YL ESTER
- 분자식
- C11H20O2
- 분자량
- 184.28
이름 및 동의어
cis-3-Hexenyl valeratecis-3-Hexenyl pentanoate35852-46-1(Z)-3-Hexenyl valerateZ-3-Hexenyl valerate(Z)-Hex-3-enyl valerate(3Z)-hex-3-en-1-yl pentanoatePentanoic acid, (3Z)-3-hexen-1-yl esterHexenyl valerate, (3Z)-Pentanoic acid, (3Z)-3-hexenyl esterPentanoic acid, 3-hexenyl ester, (Z)-FLC67L4NLM
이름 더 보기
N-발레르산CIS-3-HEXEN-1-YL에스테르FEMA 3936(Z)-Hex-3-enylvaleratcis-3-Hexenyl n-valerate3-Hexenyl pentanoate(Z)-3-Hexenyl=valerateHEXENYL-CIS-3-VALERATEcis-3-hexenylpentanoateCIS HEX-3-ENYL VALERATE
(3Z)-hexenyl valerateEINECS 252-761-5Valeric acid, 3-hexenyl ester, (Z)-FEMA NO. 3936DTXSID408856363-HEXENYL VALERATE, CIS-CIS-HEX-3-EN-1-YL PENTANOATE(Z)-3-HEXENYL VALERATE [FHFI]
데이터베이스 식별자
- CAS
35852-46-1- PubChem CID
- 5367682
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 150
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
FragrancesFragrance Ingredient (cis-3-Hexenyl valerate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.879-0.885
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in fats
soluble (in ethanol)
Boiling Point
108.00 to 109.00 °C. @ 20.00 mm Hg
108 °C (20 mm Hg)
Refractive Index1.432-1.438
Physical DescriptionColourless liquid; fruity, ripe apple or pear-like aroma
물리화학적 성질
- 녹는점
- -58.7 °C · -58.7°C (estimate)
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 100% (116 of 116) of all reports.
Not Classified
Aggregated GHS information provided per 116 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Pentanoic acid, 3-hexenyl ester, (Z)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pentanoic acid, (3Z)-3-hexenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- SA3698000
- ridadr
- UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
- 독성
- rabbit,LDLo,skin,5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 30, Pg. 47S, 1992.
- risk_code
- 51/53
- hazard_code
- N
- safety_code
- 61
- 기존화학 물질
- KE-28002
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationPentanoic acid, (3Z)-3-hexen-1-yl ester: ACTIVE
응용 분야
출처Reported found in melon, black tea, fresh mango, capsicum.
공급사60 곳
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
清宁生物（江苏博泉生物科技有限公司）王 19352250998 13160238781 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
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