2,5-ジメチル-4-tert-ブチルフェノール

Phenol, 4-(1,1-dimethylethyl)-2,5-dimethyl-

HCID 87249CAS 17696-37-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc(C(C)(C)C)c(C)cc1O
InChIKey: ZSPDNAYHQYQUPC-UHFFFAOYSA-N
分子式: C12H18O
平均分子量: 178.27 g/mol
単同位体質量: 178.1357652

名称と識別子

優先名称: Phenol, 4-(1,1-dimethylethyl)-2,5-dimethyl-
IUPAC: 4-tert-butyl-2,5-dimethylphenol
現地名: 2,5-ジメチル-4-tert-ブチルフェノール
英語名: 4-tert-butyl-2,5-xylenol
分子式: C12H18O
分子量: 178.27

名称と別名

17696-37-6Phenol, 4-(1,1-dimethylethyl)-2,5-dimethyl-4-tert-Butyl-2,5-xylenol4-(1,1-Dimethylethyl)-2,5-dimethylphenolEINECS 241-696-8DTXSID5066247RefChem:861198DTXCID8035633241-696-84-tert-butyl-2,5-dimethylphenol4-(tert-Butyl)-2,5-dimethylphenolMFCD24713532

名称をさらに表示

2,5-ジメチル-4-tert-ブチルフェノール4-(1,1-ジメチルエチル)-2,5-ジメチルフェノール4-tert-ブチル-2，5-ジメチルフェノールOxymetazoline Impurity 122,5-Dimethyl-4-tert-butylphenol4-(1,1-dimethylethyl)-2,5-dimethyl-pheno4-(1,1-dimethylethyl)-2,5-dimethyl-phenol

2,5-dimethyl-4-(1,1-dimethylethyl)-phenol4-t-Butyl-2,5-xylenol2,5-dimethyl-4-t-butylphenolPQ5T58P9K8SCHEMBL1245497SCHEMBL298726964-tert-butyl-2,5-dimethyl-phenolSAA69637

データベース識別子

CAS: 17696-37-6
PubChem CID: 87249
DTXSID: DTXSID5066247
UNII: PQ5T58P9K8
EC Number: 241-696-8
Nikkaji: J287.126B

物性

構造計算による物性

XLogP: 4
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: 1
重原子数: 13
形式電荷: 0
複雑度: 168

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点: 71.2 °C · 71.2°C
沸点: 260.36 °C · 260.36°C (estimate)
比重(密度): 0.939 · 0.9390
屈折率: 1.5311 · 1.5311
EPAの化学物質情報: 4 · Phenol, 4-(1,1-dimethylethyl)-2,5-dimethyl- (17696-37-6)

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 96.4% (27 of 28) of all reports.

Not Classified

Aggregated GHS information provided per 28 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Chemical: Phenol, 4-(1,1-dimethylethyl)-2,5-dimethyl-

Phenol, 4-(1,1-dimethylethyl)-2,5-dimethyl-: 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 CategoriesNot Classified

安全データ

tsca: TSCA listed
ridadr: 2927
hazard_class: 6.1(a)
packing_group: I

化学と産業

用途と製造

General Manufacturing InformationPhenol, 4-(1,1-dimethylethyl)-2,5-dimethyl-: ACTIVE

サプライヤー6 社

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