기본 정보
- CAS
97047-91-1- 표준 SMILES
CC(C)=CCC1C(C)=CCC2C(=O)OC(=O)C21- InChIKey
KPKSFNJCYGUOHN-UHFFFAOYSA-N- 분자식
- C14H18O3
- 평균 분자량
- 234.29 g/mol
개요
See other relationships...
이름 및 식별자
- 우선 이름
- 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-buten-1-yl)-
- IUPAC
- 5-methyl-4-(3-methylbut-2-enyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
- 영어명
- 5-methyl-4-(3-methylbut-2-enyl)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
- 분자식
- C14H18O3
- 분자량
- 0
이름 및 동의어
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-butenyl)-EINECS 240-782-2Epikure YH 3065-Methyl-6-(3-methyl-2-butenyl)cyclohex-4-ene-1,2-dicarboxylic anhydrideDTXSID108647114-Cyclohexene-1,2-dicarboxylic anhydride, 5-methyl-6-(3-methyl-2-butenyl)-1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-buten-1-yl)-RefChem:415035DTXCID00813197240-782-216726-03-75-methyl-4-(3-methylbut-2-enyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
이름 더 보기
5-methyl-4-(3-methylbut-2-enyl)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
KPKSFNJCYGUOHN-UHFFFAOYSA-NEpikure YH306Y9CA5ZE4ETSCHEMBL21812011YH3061,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-butenyl)-, (E)-1,3-Isobenzofurandione,3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-buten-1-yl)-3a,4,7,7a-Tetrahydro-5-methyl-4-(3-methyl-2-buten-1-yl)-1,3-isobenzofurandione
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 413
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-butenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
화학 및 산업
용도 및 제조
General Manufacturing Information1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-buten-1-yl)-: ACTIVE
관련 반응
0건
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