2,3-Dimethylhydroquinone

HCID 69100CAS 1321-28-4

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Basic information

Standard SMILES: Cc1c(O)ccc(O)c1C
InChIKey: BXJGUBZTZWCMEX-UHFFFAOYSA-N
Molecular formula: C8H10O2
Average molar mass: 138.16 g/mol
Monoisotopic mass: 138.06807956

Overview

structure in first source

Names & identifiers

Preferred name: 2,3-Dimethylhydroquinone
IUPAC: 2,3-dimethylbenzene-1,4-diol
English name: 2,5-Dimethylhydroquinone
Molecular formula: C8H10O2
Molecular weight: 138.16

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 99.8

Physicochemical properties

FDA UNII: 3 M8O9X4U · FK3M8O9X4U
EPA Substance Registry System: 1 · 1,4-Benzenediol, dimethyl- (1321-28-4)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 335 · H335-H319-H315-H301
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory Information · 2 items

Chemical: 1,4-Benzenediol, dimethyl-

1,4-Benzenediol, 2,3-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca: TSCA listed
Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H335-H319-H315-H301
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501