기본 정보
- CAS
33204-74-9- 표준 SMILES
C=C(C)C1CC(=O)C2(C)OC2C1- InChIKey
YGMNGQDLUQECTO-UHFFFAOYSA-N- 분자식
- C10H14O2
- 평균 분자량
- 166.22 g/mol
- 단동위원소 질량
- 166.09937969
개요
(1xi,4xi,6xi)-Carvone oxide is an oxacycle.
이름 및 식별자
- 우선 이름
- Carvone oxide
- IUPAC
- 1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
- 영어명
- 1-methyl-4-(1-methylvinyl)-7-oxabicyclo[4.1.0]heptan-2-one
- 분자식
- C10H14O2
- 분자량
- 166.22
이름 및 동의어
33204-74-9Carvone oxide7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)-DTXSID708656687-Oxabicyclo(4.1.0)heptan-2-one, 1-methyl-4-(1-methylethenyl)-RefChem:1081272DTXCID20217850Carvone Epoxide1-METHYL-4-(PROP-1-EN-2-YL)-7-OXABICYCLO[4.1.0]HEPTAN-2-ONE1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one4-Isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptan-2-one(1xi,4xi,6xi)-Carvone oxide
이름 더 보기
carvon-1,2-oxide1,6-Epoxy-p-mentha-8-ene-2-one.delta.8-p-Menthenyl-1,6-epoxy-2-one2-Methyl-2,3-epoxy-5-isopropenylcyclohexane-1-one2,3-epoxy-2-methyl-5-(1-methylethenyl)-cyclohexanone7-Oxabicyclo4.1.0heptan-2-one, 1-methyl-4-(1-methylethenyl)-
1-Carvone oxide1-METHYL-4-(1-METHYLVINYL)-7-OXABICYCLO[4.1.0]HEPTAN-2-ONE(+)-Carvone epoxideCarvone-5,6-oxide1-Methyl-4-(1-methylvinyl)-7-oxabicyclo(4.1.0)heptan-2-oneUNII-1PW5U5978EEINECS 251-405-6delta8-p-Menthenyl-1,6-epoxy-2-one
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
FragrancesFragrance substance (Carvone oxide) -> IFRA amendment 38
물리화학적 성질
- 끓는 점
- 120 · 120-122 °C(Press: 15 Torr)
- 밀도
- 1.033 g/cm3 · 1.033 g/cm3(Temp: 22 °C)
- 냄새
- 100 %에서 · 100.00%에서. 민트 스피어민트
- 냄새 유형
- 민트 맛
- 화장품 원료 기능
- 향수
- LogP
- 2.534 · 2.534 (est)
- EPA
- 7 · 7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)- (33204-74-9)
화학적 성질
Colorless liquid, sweet spicy aroma.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 234 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
7-Oxabicyclo4.1.0heptan-2-one, 1-methyl-4-(1-methylethenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)-: Environment tier I assessment
Hazard Classes and CategoriesSkin Sens. 1B (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
IFRA Fragrance Standards
Carvone oxide
Carvone epoxide; 1,6-Epoxy-p-menth-8-en-2-one; 1-Methyl-4-(1-methylvinyl)-7-oxabicyclo[4.1.0]heptan-2-one; 7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)-
IFRA_STD_120.pdf
38
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Prohibition: This material should not be used as a fragrance ingredient
General Manufacturing Information7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)-: INACTIVE
응용 분야
출처Reported found in Valerian root oil CO2 extract, China (0.14%).
공급사1 곳
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
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