기본 정보
- 표준 SMILES
CC(C)c1ccc(C(=O)C(C)(C)O)cc1- InChIKey
QPXVRLXJHPTCPW-UHFFFAOYSA-N- 분자식
- C13H18O2
- 평균 분자량
- 206.28 g/mol
- 단동위원소 질량
- 206.13067982
이름 및 식별자
- 우선 이름
- 1-Propanone, 2-hydroxy-2-methyl-1-(4-(1-methylethyl)phenyl)-
- IUPAC
- 2-hydroxy-2-methyl-1-(4-propan-2-ylphenyl)propan-1-one
- 현지명
- 2-하이드록시-2-메틸-1-[4-(1-메틸에틸)페닐]-1-프로파논
- 영어명
- 1-(4-ISOPROPYLPHENYL)-2-HYDROXY-2-METHYL-1-PROPANONE
- 분자식
- C13H18O2
- 분자량
- 206.28
이름 및 동의어
1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethyl)phenyl]-EINECS 274-073-4DTXSID20719901-(4'-Isopropylphenyl)-2-hydroxy-2-methylpropanone1-Propanone, 2-hydroxy-2-methyl-1-(4-(1-methylethyl)phenyl)-RefChem:436324DTXCID204654369673-85-42-Hydroxy-1-(4-isopropylphenyl)-2-methylpropan-1-one2-hydroxy-2-methyl-1-(4-propan-2-ylphenyl)propan-1-one1-(4-ISOPROPYLPHENYL)-2-HYDROXY-2-METHYL-1-PROPANONE2-hydroxy-2-methyl-1-[4-(propan-2-yl)phenyl]propan-1-one
이름 더 보기
2-하이드록시-2-메틸-1-[4-(1-메틸에틸)페닐]-1-프로파논α-Methyl-α-hydroxy-4'-isopropylpropiophenoneα-Hydroxy-4'-isopropyl-α-methylpropiophenone1-(4-Isopropylpheny)-2-hydroxy-2-methyl-1-propanone1-(4-Isopropylphenyl)-2-hydroxy-2-methylpropane-1-one2-Hydroxy-2-methyl-1-(4-(1-methylethyl)-phenyl)-1-propanone
2-Hydroxy-4'-isopropyl-2-methylpropiophenoneSCHEMBL54909UCA67385DA-20045NS00022703EN300-200266p-isopropyl-2-hydroxy-2,2-dimethylacetophenone1-(4-isopropylphenyl)-2-hydroxy-2-methylpropan-1-one
데이터베이스 식별자
- CAS
69673-85-4- PubChem CID
- 112291
- DTXSID
DTXSID2071990- EC Number
- 274-073-4
- Nikkaji
- J30.896J
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 223
물리화학적 성질
- 끓는 점
- 323.1 · 323.1±17.0 °C(Predicted)
- 밀도
- 1.023 · 1.023±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.94 · 12.94±0.29(Predicted)
- InChI
- InChI=1S/C13H18O2/c1-9(2)10-5-7-11(8-6-10)12(14)13(3,4)15/h5-9,15H,1-4H3
- InChIKey
- QPXVRLXJHPTCPW-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(C(C)C)C=C1)(=O)C(O)(C)C
- EPA
- 1 · 1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethyl)phenyl]- (69673-85-4)
안전 및 규제
유해성 정보
Regulatory InformationChemical: 1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethyl)phenyl]-
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-20658
화학 및 산업
용도 및 제조
General Manufacturing Information1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethyl)phenyl]-: ACTIVE
공급사3 곳
常州合晶化工有限公司85528066 13775048983 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
Guangzhou CATO Research Chemicals Inc.+86-020-81960175-617 18520203721 · [email protected]
관련 반응
5건
연결된 노트
불러오는 중…