2,6-디-tert-부틸-4-히드로퍼옥시-4-메틸-2,5-시클로헥사디에논
2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one
기본 정보
- CAS
6485-57-0- 표준 SMILES
CC1(OO)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1- InChIKey
FNLSGYWVCGOYGD-UHFFFAOYSA-N- 분자식
- C15H24O3
- 평균 분자량
- 252.35 g/mol
- 단동위원소 질량
- 252.17254462
개요
a butylated hydroxytoluene hydroperoxide; structure given in first source
이름 및 식별자
- 우선 이름
- 2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one
- IUPAC
- 2,6-ditert-butyl-4-hydroperoxy-4-methylcyclohexa-2,5-dien-1-one
- 현지명
- 2,6-디-tert-부틸-4-히드로퍼옥시-4-메틸-2,5-시클로헥사디에논
- 영어명
- 2,6-di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone
- 분자식
- C15H24O3
- 분자량
- 252.35
이름 및 동의어
6485-57-02,6-Di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienoneHK05U8X26DDTXSID202151392,5-Cyclohexadien-1-one, 2,6-di-tert-butyl-4-hydroperoxy-4-methyl-2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-oneBHTOOHRefChem:908850DTXCID701376302,6-Di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one2,6-di-tert-butyl-4-hydroperoxy-4-methylcyclohexa-2,5-dien-1-one2,6-Di-t-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone
이름 더 보기
2,6-디-tert-부틸-4-히드로퍼옥시-4-메틸-2,5-시클로헥사디에논2,6-DI-TERT-BUTYL-4-HYDROXY-4-METHYL-2,5-CYCLOHEXADIENONENoradrenaline Impurity 652,4,13-Tribromo methyl benzoateBUTYLATEDHYDROXYTOLUENEHYDROPEROXIDE2,6-Di-tert-butyl-4-methyl-4-hydroperoxybenzene-1(4H)-one2,6-DI-TERT-BUTYL-4-HYDROPEROXYL-4-METHYLO-2,5-CYCLOHEXADI.2,6-DI-TERT-BUTYL-4-HYDROPEROXY-4-METHYLCYCLOHEXA-2,5-DIEN.2,6-DI-TERT-BUTYL-4-HYDROPEROXYL-4-METHYL-2,5-CYCLOHEXADIE.
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 380
물리화학적 성질
- 녹는점
- 115 °C · 115 °C
- 끓는 점
- 360.6 · 360.6±42.0 °C(Predicted)
- 밀도
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.77 · 9.77±0.60(Predicted)
화학 및 산업
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