CAS 2785-75-3 3,5-Dimethylbenzene-1,2-diol (HCID 17737)

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Basic information

CAS: 2785-75-3
Standard SMILES: Cc1cc(C)c(O)c(O)c1
InChIKey: YGLVLWAMIJMBPF-UHFFFAOYSA-N
Molecular formula: C8H10O2
Average molar mass: 138.16 g/mol
Monoisotopic mass: 138.06807956

Overview

3,5-Dimethylcatechol is a member of phenols.

Names & identifiers

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

Names & synonyms

3,5-dimethylbenzene-1,2-diolRefChem:487014819-171-53,5-dimethylcatechol2785-75-33,5-DimethylpyrocatecholMFCD247134563,5-DIMETHYL-1,2-BENZENEDIOLSCHEMBL70189SCHEMBL107307173,5-dimethyl-benzene-1,2-diolDTXSID50274597

Show more names

CHEBI:2017931,2-Benzenediol, 3,5-dimethyl-CAA78575F75589EN300-1599486InChI=1/C8H10O2/c1-5-3-6(2)8(10)7(9)4-5/h3-4,9-10H,1-2H

Database identifiers

CAS: 2785-75-3
PubChem CID: 17737
DTXSID: DTXSID50274597
ChEBI: CHEBI:201793
EC Number: 819-171-5
Nikkaji: J116.745F

Properties

Computed structural properties

XLogP: 1.9
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: 114

Physicochemical properties

Melting point: 64 · 64-66 °C
Boiling point: 90 · 90-100 °C(Press: 0.1 Torr)
Density: 1.162 · 1.162±0.06 g/cm3(Predicted)
pka: 10.02 · 10.02±0.15(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302-H335-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H302-H335-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501