CAS 25377-21-3 Phenol, bis(1,1-dimethylethyl)-4-methyl- (HCID 3034427)

基本情報

CAS: 25377-21-3
標準SMILES: Cc1ccc(O)c(C(C)(C)C)c1C(C)(C)C
InChIKey: QWQNFXDYOCUEER-UHFFFAOYSA-N
分子式: C15H24O
平均分子量: 220.35 g/mol
単同位体質量: 220.18271539

名称と識別子

優先名称: Phenol, bis(1,1-dimethylethyl)-4-methyl-
IUPAC: 2,3-ditert-butyl-4-methylphenol

名称と別名

Phenol, bis(1,1-dimethylethyl)-4-methyl-25377-21-3p-Cresol, di-tert-butyl-NSC 133443DTXSID90894819EINECS 246-911-9AI3-17063RefChem:172833p-Cresol, di-tert-butyl-(8CI)DTXCID501324389di-t-butyl-p-cresol2,3-ditert-butyl-4-methylphenol

名称をさらに表示

di-tert.-butyl-p-cresolSCHEMBL36472SCHEMBL312843SCHEMBL7066555SCHEMBL11450483SCHEMBL293598792,3-DI-TERT-BUTYL-4-METHYLPHENOLNS00066897

データベース識別子

CAS: 25377-21-3
PubChem CID: 3034427
DTXSID: DTXSID90894819

物性

構造計算による物性

XLogP: 5.3
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 16
形式電荷: 0
複雑度: 231

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

安全と法規制

危険有害性情報

Regulatory InformationPhenol, bis(1,1-dimethylethyl)-4-methyl-: 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.