기본 정보
- CAS
36616-60-1- 표준 SMILES
C=C(C)[C@H]1CC(=O)[C@]2(C)O[C@@H]2C1- InChIKey
YGMNGQDLUQECTO-SFGNSQDASA-N- 분자식
- C10H14O2
- 평균 분자량
- 166.22 g/mol
- 단동위원소 질량
- 166.09937969
이름 및 식별자
- 우선 이름
- Carvone-5,6-oxide, trans-(+)-
- IUPAC
- (1R,4R,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
- 영어명
- (1alpha,4alpha,6alpha)-(+)-1-methyl-4-(1-methylvinyl)-7-oxabicyclo[4.1.0]heptan-2-one
- 분자식
- C10H14O2
- 분자량
- 166.22
이름 및 동의어
(R,R,R)-Carvone EpoxideCarvone-5,6-oxide, trans-(+)-S7C1X9QF3Q7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)-, (1R,4R,6R)-DTXSID30884673(+)-2,3-Epoxy-5-isopropenyl-2-methylcyclohexanoneL-(-)-CARVONE TRANS-EPOXIDENSC-316066(1R,4R,6R)-4-Isopropenyl-1-methyl-1,6-epoxycyclohexan-2-oneFEMA NO. 4084, TRANS-(+)-7-Oxabicyclo(4.1.0)heptan-2-one, 1-methyl-4-(1-methylethenyl)-, (1R,4R,6R)-(1R,4R,6R)-1-METHYL-4-ISOPROPENYL-7-OXABICYCLO(4.1.0)HEPTAN-2-ONE
이름 더 보기
Nsc316066l-Carvone oxideCarvone EpoxideCarvone 1,2-Oxide(+)-Carvone epoxidep-Menth-8-en-2-one, 1,6-epoxy-, (1R,4R,6R)-(-)-
7-OXABICYCLO(4.1.0)HEPTAN-2-ONE, 1-METHYL-4-(1-METHYLETHENYL)-, (1R-(1.ALPHA.,4.ALPHA.,6.ALPHA.))-RefChem:574753DTXCID2010241027-Oxabicyclo(4.1.0)heptan-2-one, 1-methyl-4-(1-methylethenyl)-, (1R-(1alpha,4alpha,6alpha))-36616-60-11-Carvone oxide(1r,4r,6r)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptan-2-one(1R,4R,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
데이터베이스 식별자
- CAS
36616-60-1- PubChem CID
- 442462
- DTXSID
DTXSID30884673- UNII
- S7C1X9QF3Q
- EC Number
- 253-128-6
- Nikkaji
- J1.028.092C
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 29.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 257
실험 및 물리화학적 성질
Density1.027-1.033
Solubility
Insoluble in water
Soluble (in ethanol)
Boiling Point105 °C (5 mm Hg)
Refractive Index1.481-1.487
Physical DescriptionColourless liquid; Sweet spicy aroma
물리화학적 성질
- 끓는 점
- 255.6 · 255.6±28.0 °C(Predicted)
- 밀도
- 1.086 · 1.086±0.06 g/cm3(Predicted)
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 색상
- 연노랑
- LogP
- 2.534 · 2.534 (est)
- EPA
- 7 · 7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)-, (1R,4R,6R)- (36616-60-1)
화학적 성질
Clear Liquid
안전 및 규제
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
General Manufacturing Information7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)-, (1R,4R,6R)-: INACTIVE
응용 분야
용도As a terpenoid, (1alpha,4alpha,6alpha)-(+)-1-methyl-4-(1-methylvinyl)-7-oxabicyclo[4.1.0]heptan-2-one can be used as a reagent in the preparation of flavoring compounds and pharmaceutical drugs.
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하류 제품
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