기본 정보
- CAS
68400-54-4- 표준 SMILES
CC(C)(O)C(=O)c1ccc(C(C)(C)C)cc1- InChIKey
JHXJMPVUVKIGKC-UHFFFAOYSA-N- 분자식
- C14H20O2
- 평균 분자량
- 220.31 g/mol
- 단동위원소 질량
- 220.14632988
이름 및 식별자
- 우선 이름
- 1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone
- IUPAC
- 1-(4-tert-butylphenyl)-2-hydroxy-2-methylpropan-1-one
- 영어명
- 1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one
- 분자식
- C14H20O2
- 분자량
- 220.31
이름 및 동의어
68400-54-41-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone1-(4-tert-butylphenyl)-2-hydroxy-2-methylpropan-1-one1-Propanone, 1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methyl-J3D3DE2CMTEINECS 270-044-51-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-oneDTXSID40715081-Propanone, 1-(4-(1,1-dimethylethyl)phenyl)-2-hydroxy-2-methyl-1-(4-(1,1-Dimethylethyl)phenyl)-2-hydroxy-2-methylpropan-1-one2-HYDROXY-2-METHYL-1-(4-TERT-BUTYLPHENYL)-1-PROPANONE1-(4-(1,1-DIMETHYLETHYL)PHENYL)-2-HYDROXY-2-METHYL-1-PROPANONE
이름 더 보기
IHT-PI 1854''-tert-Butyl-2-hydroxy-2-methylpropiophenone1-(4-tert-Butylphenyl)-2-methyl-2-hydroxy-1-propanone2-HYDROXY-2-METHYL-1-(4-TERT-BUTYL)PHENYL PROPAN-1-ONE1-[4-(1,1-dimethylethyl) phenyl]-2-hydroxy-2-methyl-1-propanone
RefChem:426038DTXCID5045968270-044-51-(4-(tert-Butyl)phenyl)-2-hydroxy-2-methylpropan-1-oneUNII-J3D3DE2CMTSCHEMBL305930JHXJMPVUVKIGKC-UHFFFAOYSA-NNS00036586
데이터베이스 식별자
- CAS
68400-54-4- PubChem CID
- 110191
- DTXSID
DTXSID4071508- UNII
- J3D3DE2CMT
- EC Number
- 270-044-5
- Nikkaji
- J332.508C
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 252
물리화학적 성질
- 끓는 점
- 327 · 327.0±25.0 °C(Predicted)
- 밀도
- 1.009 · 1.009±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.96 · 12.96±0.29(Predicted)
- EPA
- 1 · 1-Propanone, 1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methyl- (68400-54-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.
Not Classified
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information1-Propanone, 1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methyl-: ACTIVE
공급사8 곳
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