기본 정보
- CAS
42436-07-7- 표준 SMILES
CC/C=C\CCOC(=O)Cc1ccccc1- InChIKey
FJKFIIYSBXHBCT-ARJAWSKDSA-N- 분자식
- C14H18O2
- 평균 분자량
- 218.29 g/mol
- 단동위원소 질량
- 218.13067981
이름 및 식별자
- 우선 이름
- 3-Hexenyl phenylacetate, (3Z)-
- IUPAC
- [(Z)-hex-3-enyl] 2-phenylacetate
- 영어명
- cis-3-Hexenyl phenylacetate
- 분자식
- C14H18O2
- 분자량
- 218.29
이름 및 동의어
cis-3-Hexenyl phenylacetate42436-07-7Z-3-Hexenyl phenylacetate3-Hexenyl phenylacetate3-Hexenyl alpha-toluate3-Hexenyl phenylacetate, cis-FEMA No. 3633Benzeneacetic acid, (3Z)-3-hexenyl esterBenzeneacetic acid, 3-hexenyl ester, (Z)-(Z)-Hex-3-enyl phenylacetate3-Hexenyl benzeneacetate, cis-beta,gamma-Hexenyl alpha-toluate
이름 더 보기
FEMA 36333-HEXENYLPHENYLACETATEz-3-hexenylphenylacetateC3 HEXENYL PHENYL ACETATE(Z)-Hex-3-enylphenylacetatCIS-3-HEXEN-1-YL PHENYLACETATEbeta,gamma-hexenylalpha-toluate(Z)-3-hexen-1-yl phenyl acetate
3-Hexenyl phenylacetate, (Z)-3-Hexenyl benzeneacetate, (Z)-3-Hexenyl phenylacetate, (3Z)-EINECS 255-826-6Benzeneacetic acid, (3Z)-3-hexen-1-yl esterBRN 32664068XZ0MZ4575(3Z)-hex-3-en-1-yl 2-phenylacetate
데이터베이스 식별자
- CAS
42436-07-7- PubChem CID
- 5367698
- DTXSID
DTXSID40884821- UNII
- 8XZ0MZ4575
- EC Number
- 255-826-6
- Nikkaji
- J73.248F
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 215
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (3-Hexenyl phenylacetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Boiling Point297.00 to 299.00 °C. @ 760.00 mm Hg
물리화학적 성질
- 끓는 점
- 292 · 292-297 °C (lit.)
- 밀도
- 0.992 g/mL · 0.992 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.502(lit.)
- FEMA
- 3633 · 3633 | 3-HEXENYL PHENYLACETATE
- 인화점
- 110 °C · 110 °C
- 용해도
- Insoluble in water, solubic in alcohol and oils.
- 색상
- Colorless, slightly viscous liquid
- 냄새
- 100 %에서 · 100.00%에서. 녹색 장미 꿀 밀랍 완두콩 열대 키위 콩
- 냄새 유형
- 녹색
- 생물학적 소스
- synthetic
- JECFA Number
- 1016 · 1016
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 98.9% (91 of 92) of all reports.
Not Classified
Aggregated GHS information provided per 92 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzeneacetic acid, 3-hexenyl ester, (Z)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzeneacetic acid, (3Z)-3-hexenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzeneacetic acid, 3-hexenyl ester, (Z)-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- CY1630000
- 기존화학 물질
- KE-19898
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzeneacetic acid, (3Z)-3-hexen-1-yl ester: ACTIVE
응용 분야
개요3-Hexenyl phenylacetate has a mild and sweet, green-rose-mossy odor. May be synthesized from phenylacetyl chloride and cis- 3-hexenol with pyridine catalyst in an inert diluent.
출처Reported found in Japanese peppermint oil, spearmint oil and corn mint oil.
제조 방법
From phenylacetyl chloride and cis-3-hexenol with pyridine catalyst in an inert diluent.
공급사60 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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
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