기본 정보
- CAS
41519-23-7- 표준 SMILES
CCC=CCCOC(=O)C(C)C- InChIKey
OSMAJVWUIUORGC-UHFFFAOYSA-N- 분자식
- C10H18O2
- 평균 분자량
- 170.25 g/mol
- 단동위원소 질량
- 170.13067981
개요
Hex-3-en-1-yl 2-methylpropanoate has been reported in Humulus lupulus with data available.
이름 및 식별자
- 우선 이름
- (Z)-hex-3-enyl isobutyrate
- IUPAC
- hex-3-enyl 2-methylpropanoate
- 영어명
- cis-3-Hexenyl isobutyrate
- 분자식
- C10H18O2
- 분자량
- 170.25
이름 및 동의어
Hex-3-enyl isobutyrate(Z)-Hex-3-enyl isobutyrateRefChem:408696260-993-3Hex-3-en-1-yl 2-methylpropanoatehex-3-enyl 2-methylpropanoate57859-47-9Cis-3-hexenylesterSCHEMBL112643(E)-3-hexen-1-yl isobutyrateDTXSID5047586OSMAJVWUIUORGC-UHFFFAOYSA-N
이름 더 보기
FEMA 3929ent33348VERDURAL BC3 HEXENYL ISOBUTYRATE3Z-Hexenyl IsobutyrateHEXENYLISOBUTYRAT CIS-3(Z)-Hex-3-enylisobutyratcis-3-Hexenyl i-butyratecis-3-Hexenyl isobutrate
AKOS025243527DB-254911NS00087284
데이터베이스 식별자
- CAS
41519-23-7、57859-47-9- PubChem CID
- 93832
- DTXSID
DTXSID5047586- EC Number
- 255-424-0、260-993-3
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 148
실험 및 물리화학적 성질
Density0.882-0.885
Solubility
insoluble in water; soluble in fats
soluble (in ethanol)
Boiling Point181-182 °C
Refractive Index1.424-1.432
Physical DescriptionColourless liquid; fruity, nutty aroma
물리화학적 성질
- 녹는점
- -89.9 °C · -89.9°C (estimate)
- 끓는 점
- 92 °C20 · 92 °C20 mm Hg(lit.)
- 밀도
- 0.878 g/mL · 0.878 g/mL at 25 °C(lit.)
- 증기압
- 2.16 · 2.16-2.73hPa at 20-25℃
- FEMA
- 3929 · 3929 | CIS-3-HEXENYL ISOBUTYRATE
- 굴절률
- 20 · n20/D 1.428(lit.)
- 인화점
- 185 °F · 185 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- Practically insoluble in water. soluble in alcohol and propylene glycol, miscible with oils.
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 97.4% (1474 of 1514) of all reports.
Not Classified
Aggregated GHS information provided per 1514 reports by companies from 3 notifications to the ECHA C&L Inventory.
Not Classified
유해성 정보
Regulatory InformationREACH registered substance: (Z)-hex-3-enyl isobutyrate (EC: 255-424-0)
Hazard Classes and Categories
Not Classified
Not Classified
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- UA2470200
- HS 번호
- 29156000
- risk_code
- 38
- hazard_code
- Xi
- safety_code
- 36
화학 및 산업
용도 및 제조
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
응용 분야
출처Reported found in guava, spearmint, Chinese quince.
용도As compared to the n-Butyratc, this ester is less buttery, more fruity in its overall odor type. It is perhaps less reminiscent of natural products except Apple, and has therefore not become very popular. It could find usc as a modifier for the Hcxcnyl esters with lower acids, and it will blend particularly well with fruity notes of the Apple-Peach-Apricot type (Undccanolidc, etc.). It lends freshness to Lavender and other hcrbaccous fragrances, and gives lift to many types of floral fragrance.
일반 설명Natural occurrence: Guava, spearmint, Chinese quince.
제조 방법
by csterification of cis-3-Hexenol with iso-Butyric acid under azeotropic conditions.
공급사100 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
苏州申拓医药科技有限公司13911244683 18151949202 · [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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