기본 정보
- CAS
72727-55-0- 표준 SMILES
CC(C)=CCCC1=CCC(C)(C(=O)OCC(C)C)CC1- InChIKey
CBAABHLYEHHMIM-UHFFFAOYSA-N- 분자식
- C18H30O2
- 평균 분자량
- 278.4 g/mol
- 단동위원소 질량
- 278.2245802
이름 및 식별자
- 우선 이름
- 3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-penten-1-yl)-, 2-methylpropyl ester
- IUPAC
- 2-methylpropyl 1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate
- 영어명
- 2-methylpropyl 1-methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carboxylate
- 분자식
- C18H30O2
- 분자량
- 278.43
이름 및 동의어
EINECS 276-788-7DTXSID708881701-Methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid, 2-methylpropyl ester3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-penten-1-yl)-, 2-methylpropyl ester3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-pentenyl)-, 2-methylpropyl esterRefChem:500751DTXCID90102745272727-55-02-Methylpropyl 1-methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carboxylateCBAABHLYEHHMIM-UHFFFAOYSA-N2-METHYLPROPYL 1-METHYL-4-(4-METHYLPENT-3-EN-1-YL)CYCLOHEX-3-ENE-1-CARBOXYLATENS00062357
이름 더 보기
1-Methyl-4-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxylic acid 2-methylpropyl ester
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 386
물리화학적 성질
- EPA
- 3 · 3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-pentenyl)-, 2-methylpropyl ester (72727-55-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: 3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-pentenyl)-, 2-methylpropyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-penten-1-yl)-, 2-methylpropyl ester: INACTIVE
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