기본 정보
- CAS
1073-11-6- 표준 SMILES
C=CC1(C)CCC(=O)O1- InChIKey
QESPSAHXYXIGBG-UHFFFAOYSA-N- 분자식
- C7H10O2
- 평균 분자량
- 126.15 g/mol
- 단동위원소 질량
- 126.06807956
개요
4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone is a gamma-lactone.
이름 및 식별자
- 우선 이름
- 4-HYDROXY-4-METHYL-5-HEXENOIC ACID gamma LACTONE
- IUPAC
- 5-ethenyl-5-methyloxolan-2-one
- 현지명
- 디히드로-5-메틸-5-비닐푸란-2(3H)-온
- 영어명
- dihydro-5-methyl-5-vinylfuran-2(3H)-one
- 분자식
- C7H10O2
- 분자량
- 126.15
이름 및 동의어
5-ethenyl-5-methyloxolan-2-one1073-11-62(3H)-Furanone, 5-ethenyldihydro-5-methyl-Lavender lactone5-Ethenyldihydro-5-methyl-2(3H)-furanone4-Methyl-5-hexen-4-olidelilac lactone4-Methyl-4-vinyl-4-butanolide4-Methyl-4-vinyl-1,4-butanolide4-Hydroxy-4-methyl-5-hexenoic acid gamma lactoneDihydro-5-methyl-5-vinyl-2(3H)-furanoneDihydro-5-methyl-5-vinylfuran-2(3H)-one
이름 더 보기
디히드로-5-메틸-5-비닐푸란-2(3H)-온γ-Vinyl-γ-Valerolactone5-methyl-5-vinyldihydrofuran-2(3H)-one4,5-Dihydro-5-methyl-5-vinyl-2(3H)-furanone
S2GF56OA972(3H)-Furanone, dihydro-5-methyl-5-vinyl-.gamma.-Vinyl-.gamma.-valerolactoneEINECS 214-024-62-Vinyl-2-methyltetrahydrofuran-5-oneFEMA NO. 4051DTXSID40862523.gamma.-Methyl-.gamma.-vinyl-.gamma.-butyrolactone
데이터베이스 식별자
- CAS
1073-11-6- PubChem CID
- 102550
- DTXSID
DTXSID40862523- ChEBI
CHEBI:195835- UNII
- S2GF56OA97
- EC Number
- 214-024-6
- Nikkaji
- J109.966C
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 151
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Lactones
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.015-1.025 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in nonpolar solvents
soluble (in ethanol)
Boiling Point219 °C
Refractive Index1.457-1.462
Physical DescriptionClear, colourless liquid; floral aroma
물리화학적 성질
- 끓는 점
- 89 · 89-90 °C(Press: 10 Torr)
- 밀도
- 1.0218 g/cm3 · 1.0218 g/cm3
- FEMA
- 4051 · 4051 | 4-HYDROXY-4-METHYL-5-HEXENOIC ACID GAMMA LACTONE
- 저장 조건
- 2 · 2-8°C, stored under nitrogen
- 용해도
- 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 색상
- 무색~담황색
- 냄새
- 100 %에서 · 100.00%에서. 프루티 민트
- 냄새 유형
- 과일 같은
- JECFA Number
- 1157 · 1157
- 안정성
- 감광성
- LogP
- 0.51 · 0.51
- EPA
- 2 · 2(3H)-Furanone, 5-ethenyldihydro-5-methyl- (1073-11-6)
화학적 성질
4-Hydroxy-4-methyl-5-hexenoic acid gamma-lactone has a floral aroma.
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% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] See Butyrolactone.
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2(3H)-Furanone, 5-ethenyldihydro-5-methyl-: INACTIVE
응용 분야
출처Reportedly present in papaya, wine, tea, grapes (Vitis vinifera), coriander seed, calamus, sage and maté
용도4-Methyl-4-vinyl-4-butanolide is an intermediate in the synthesis of γ-CEHC (C249200) which is a metabolite of γ-Tocopherol (T526140); one of the naturally occurring forms of Vitamin E found most abundantly in soybean and corn oils.
공급사18 곳
杭州品高化工有限公司0571-87658025 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
兰州金诚楷摩医药科技有限公司13361936468 · [email protected]
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