2,6-ビス(1,1-ジメチルエチル)-4-(メトキシメチル)フェノール

2,6-Di-tert-butyl-4-(methoxymethyl)phenol

HCID 6911CAS 87-97-8

部分構造検索類似構造を探す

基本情報

標準SMILES: COCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey: SCXYLTWTWUGEAA-UHFFFAOYSA-N
分子式: C16H26O2
平均分子量: 250.38 g/mol
単同位体質量: 250.19328007

名称と識別子

優先名称: 2,6-Di-tert-butyl-4-(methoxymethyl)phenol
IUPAC: 2,6-ditert-butyl-4-(methoxymethyl)phenol
現地名: 2,6-ビス(1,1-ジメチルエチル)-4-(メトキシメチル)フェノール
英語名: 2,6-di-tert-butyl-4-(methoxymethyl)phenol
分子式: C16H26O2
分子量: 250.38

名称と別名

2,6-Di-tert-butyl-4-(methoxymethyl)phenolPhenol, 2,6-bis(1,1-dimethylethyl)-4-(methoxymethyl)-RefChem:445263201-787-587-97-8Ethyl 7622,6-Di-tert-butyl-4-methoxymethylphenolIonol 4Ethyl Antioxidant 762Agidol 422,6-ditert-butyl-4-(methoxymethyl)phenolNSC 39711

名称をさらに表示

(3,5-ジ-tert-ブチル-4-ヒドロキシベンジル)メチルエーテル4-(メトキシメチル)-2,6-ジ-tert-ブチルフェノール4-(メトキシメチル)-2,6-ジ(tert-ブチル)フェノール2,6-ジ-tert-ブチル-4-(メトキシメチル)フェノール2,6-ジtert-ブチル-4-(メトキシメチル)フェノール2,6-ビス(1,1-ジメチルエチル)-4-(メトキシメチル)フェノールNsc39711DTBHB-MeIonox 220 precursor4-(Methoxymethyl)-2,6-di(tert-butyl)phenol(3,5-Di-tert-butyl-4-hydroxybenzyl)methyl ether

PHENOL, 2,6-DI-tert-BUTYL-4-METHOXYMETHYL-Methyl ether of 3,5-di-tert-butyl-4-hydroxybenzenep-Cresol, 2,6-di-tert-butyl-alpha-methoxy-AL3G335FLPNSC-397112,6-di-t-butyl-4-methoxymethylphenolp-Cresol, 2,6-di-tert-butyl-.alpha.-methoxy-EINECS 201-787-5

データベース識別子

CAS: 87-97-8
PubChem CID: 6911
DTXSID: DTXSID40236043
ChEMBL: CHEMBL389894
UNII: AL3G335FLP
EC Number: 201-787-5
Nikkaji: J50.127A

物性

構造計算による物性

XLogP: 4.6
極性表面積: 29.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 18
形式電荷: 0
複雑度: 235

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点: 101 °C · 101 °C
沸点: 353.51 °C · 353.51°C (rough estimate)
比重(密度): 0.9781 · 0.9781 (rough estimate)
屈折率: 1.6 · 1.6000 (estimate)
酸解離定数(Pka): 11.17 · 11.17±0.70(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationPhenol, 2,6-bis(1,1-dimethylethyl)-4-(methoxymethyl)-: 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 CategoriesSkin Irrit. 2 (100%)