cis-3-Hexenyl butanoate

HCID 5352438
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

CAS
16491-36-4
표준 SMILES
CC/C=C\CCOC(=O)CCC
InChIKey
ZCHOPXVYTWUHDS-WAYWQWQTSA-N
분자식
C10H18O2
평균 분자량
170.25 g/mol
단동위원소 질량
170.13067982

개요

Cis-3-hexenyl butyrate is a fatty acid ester.

이름 및 식별자

우선 이름
cis-3-Hexenyl butanoate
IUPAC
[(Z)-hex-3-enyl] butanoate
영어명
cis-3-Hexenyl butyrate
분자식
C10H18O2
분자량
170.25

이름 및 동의어

cis-3-Hexenyl butyrate16491-36-4(Z)-3-hexenyl butyrate(Z)-Hex-3-enyl butyrate[(Z)-hex-3-enyl] butanoatecis-3-Hexen-1-yl butyratecis-Butyric acid, 3-hexenyl esterFEMA No. 34023-Hexenyl butanoate, cis-Butyric acid, 3-hexenyl ester, (Z)-3-Hexenyl butyrate, (Z)-3-Hexenyl butanoate, (Z)-
이름 더 보기
Butanoic acid, 3-hexenyl ester, (Z)-(Z)-3-hexenyl butanoateFEMA 3402HEX-3-ENYL BUTYRATEcis-3-hexenyl buyrate(3Z)-3-Hexenyl butyrateLeaf butyrate
3-Hexenyl butyrate, (3Z)-cis-3-hexenyl butanoateDTXSID6051772O47B839622((Z)-hex-3-enyl) butanoateRefChem:502199DTXCID5030327240-553-7

데이터베이스 식별자

CAS
16491-36-4
PubChem CID
5352438
DTXSID
DTXSID6051772
ChEBI
CHEBI:176779
UNII
O47B839622
EC Number
240-553-7
Nikkaji
J118.157B

물성

구조 계산 물성

XLogP
2.7
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
7
무거운 원자 수
12

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
FragrancesFragrance Ingredient (cis-3-Hexenyl butyrate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.860-0.899
Flavoring AgentsEU Flavoring substances
Solubility · 3건

very slightly

soluble in alcohol, propylene glycol; miscible with most fixed oils; insoluble in water

(in ethanol)

물리화학적 성질

끓는 점
96 °C20 · 96 °C20 mm Hg(lit.)
밀도
0.885 g/mL · 0.885 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.431(lit.)
FEMA
3402 · 3402 | CIS-3-HEXENYL BUTYRATE
인화점
174 °F · 174 °F
저장 조건
Inert atmosphere,Room Temperature

화학적 성질

cis-3-Hexenyl butyrate has a green, fruity, somewhat buttery aroma.

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 97.4% (1614 of 1657) of all reports.

Not Classified

Aggregated GHS information provided per 1657 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Butanoic acid, 3-hexenyl ester, (Z)-

Regulation (EC) No 1831/2003 (amended)

Butanoic 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
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
기존화학 물질
KE-03855

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

Household ProductsInformation on 3 consumer products that contain Cis-3-Hexenyl Butyrate in the following categories is provided:
Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationButanoic acid, (3Z)-3-hexen-1-yl ester: ACTIVE

응용 분야

개요cis-3-Hexenyl butyrate has a green, fruity, somewhat buttery aroma. May be synthesized by esterification of cis-3-hexenol with n-butyric acid under azeotropic conditions.

출처Reported found in passion fruit, apricot, orange and lemon peel oil, apple, Concord grape, guava, strawberry, tea, plum, plumcot, starfruit, mango, coriander, quince, lovage, nectarine and spineless monkey orange.

제조 방법

By esterification of cis-3-hexenol with n-butyric acid under azeotropic conditions.

상·하류 제품 정보

공급사100 곳

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…