2,3-Dimethylhydroquinone

HCID 69100CAS 1321-28-4

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1c(O)ccc(O)c1C
InChIKey: BXJGUBZTZWCMEX-UHFFFAOYSA-N
分子式: C8H10O2
平均分子量: 138.16 g/mol
単同位体質量: 138.06807956

概要

structure in first source

名称と識別子

優先名称: 2,3-Dimethylhydroquinone
IUPAC: 2,3-dimethylbenzene-1,4-diol
英語名: 2,5-Dimethylhydroquinone
分子式: C8H10O2
分子量: 138.16

名称と別名

2,3-Dimethylhydroquinone608-43-52,3-dimethylbenzene-1,4-diolo-Xylohydroquinone1,4-Benzenediol, 2,3-dimethyl-Hydroquinone, 2,3-dimethyl-F0L7HG609JNSC-108080DTXSID50870679RefChem:442533DTXCID50818379629-372-8

名称をさらに表示

hydrophloronedimethyl-4-benzenediol4-Benzenediol,dimethyl-12,5-Dimethylhydroquinone2,5-Dimethyl-1,4-benzenediol

2,3-Xylohydroquinoneo-Xylene-3,6-diol1,4-Benzenediol, dimethyl-2,3-Dimethyl-1,4-benzenediol1,4-Dihydroxy-2,3-dimethylbenzeneMFCD000099973,6-Dihydroxy-o-xyleneUNII-F0L7HG609J

データベース識別子

CAS: 1321-28-4、608-43-5
PubChem CID: 69100
DTXSID: DTXSID50870679
ChEMBL: CHEMBL1269256
UNII: F0L7HG609J
EC Number: 629-372-8
Nikkaji: J116.749I

物性

構造計算による物性

XLogP: 1.2
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: 0
重原子数: 10
形式電荷: 0
複雑度: 99.8

物理化学的性質

EPAの化学物質情報: 1 · 1,4-Benzenediol, dimethyl- (1321-28-4)

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, 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.