Catechol

C₆H₆O₂CAS 120-80-9110.11 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₆H₆O₂
Molar mass: 110.11 g/mol
Exact mass: 110.0368 Da
Density: 1.34 g/mL
Melting point: 105 °C
Boiling point: 245.5 °C
pKa: 9.45, 12.8
Flash point: 127 °C (closed cup)
Water solubility: 430 g/L (20 °C)
logP: 1.10Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H315 Causes skin irritationSkin corrosion/irritation
H319 Causes serious eye irritationSerious eye damage/eye irritation
H341 Suspected of causing genetic defectsGerm cell mutagenicity
H350 May cause cancerCarcinogenicity

Harmonised EU classification (CLP Annex VI, index 604-016-00-4), via PubChem.

Precautionary statements

P203, P262, P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P316, P318, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, P501

Identifiers

CAS number

120-80-9

SMILES

Oc1ccccc1O

InChIKey

YCIMNLLNPGFGHC-UHFFFAOYSA-N

InChI

InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

27 names · show all

1,2-Benzenediol
Pyrocatechol
C.I. 76500
o-Benzenediol
C.I. Oxidation base 26
o-Dihydroxybenzene
1,2-Dihydroxybenzene
Durafur developer C
Fouramine PCH
Fourrine 68
2-Hydroxyphenol
Oxyphenic acid
Pelagol grey C
Pyrocatechin
o-Dioxybenzene
o-Hydroxyphenol
Catechol (phenol)
Pyrocatechine
o-Phenylenediol
Phthalhydroquinone
o-Hydroquinone
Phthalic alcohol
NSC 1573
Z 1
Z 1 (Inhibitor)
1,2-Hydroxybenzene
5,6-Dihydroxybenzene

Work with Catechol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(1,1'-Biphenyl)-2,2'-diol1806-29-767 % similar 2-Bromophenol95-56-759 % similar 1,4-Naphthalenediol571-60-856 % similar 1,5-Dihydroxynaphthalene83-56-756 % similar Pyrogallol87-66-156 % similar 2-Mercaptophenol1121-24-056 % similar 2,2'-Azobisphenol2050-14-856 % similar 2-Fluorophenol367-12-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Propargyl acrylate10477-47-1 Resorcinol108-46-3 2-Acetylfuran1192-62-7 Hydroquinone123-31-9 2,4-Hexadiyne-1,6-diol3031-68-3 1,4-Cyclohex-2-enedione4505-38-8 5-Methylfurfural620-02-0

Elsewhere

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