CAS 57259-71-9 1-(2-(Hydroxymethyl)phenyl)ethanol (HCID 576911)

基本情報

CAS: 57259-71-9
標準SMILES: CC(O)c1ccccc1CO
InChIKey: XVKYPJPUAOOGBQ-UHFFFAOYSA-N
分子式: C9H12O2
平均分子量: 152.19 g/mol

名称と識別子

優先名称: 1-(2-(Hydroxymethyl)phenyl)ethanol
IUPAC: 1-[2-(hydroxymethyl)phenyl]ethanol
英語名: SALOR-INT L480355-1EA
分子式: C9H12O2
分子量: 152.19

名称と別名

1-(2-(Hydroxymethyl)phenyl)ethanol57259-71-91-[2-(Hydroxymethyl)phenyl]ethanolRefChem:421285655-381-11-[2-(hydroxymethyl)phenyl]ethan-1-olMFCD07776856SCHEMBL1561218SALOR-INT L480355-1EA2-(1-Hydroxyethyl)hydroxymethylbenzene1-[2-(Hydroxymethyl)phenyl]ethanol #1-Hydroxymethyl-2-(1'-hydroxyethyl)benzene

名称をさらに表示

1,2-Benzenedimethanol, α1-methyl-

CS-0225784EN300-124906F725541-(2-(hydroxymethyl)phenyl)ethan-1-olHCA259711-(2-Hydroxymethyl-phenyl)-ethanolAKOS006284156SB85139

データベース識別子

CAS: 57259-71-9
PubChem CID: 576911
EC Number: 655-381-1
Nikkaji: J803.863E

物性

構造計算による物性

XLogP: 0.6
極性表面積: 40.5 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 114

物理化学的性質

融点: 66 · 66-67 °C
沸点: 180 °C · 180 °C(Press: 10 Torr)
比重(密度): 1.133 · 1.133±0.06 g/cm3(Predicted)
酸解離定数(Pka): 14.32 · 14.32±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.