chempirical

4-Methylcatechol

C7H8O2CAS 452-86-8124.14 g/mol

Open in Covalent MOL file
OHOH
Phenol

Properties

Molecular formula
C7H8O2
Molar mass
124.14 g/mol
Exact mass
124.0524 Da
Density
1.1287 g/mL (at 73.6 °C)
Melting point
65 °C
Boiling point
251 °C
logP
1.41Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
452-86-8
SMILES
Cc1ccc(O)c(O)c1
InChIKey
ZBCATMYQYDCTIZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3

Weigh it out

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

Names and synonyms

18 names · show all
  • 1,2-Benzenediol, 4-methyl-
  • Pyrocatechol, 4-methyl-
  • 4-Methyl-1,2-benzenediol
  • Homocatechol
  • Homopyrocatechol
  • 4-Methylpyrocatechol
  • p-Methylpyrocatechol
  • 3,4-Dihydroxytoluene
  • Toluene-3,4-diol
  • 4-Methyl-1,2-dihydroxybenzene
  • 1,2-Dihydroxy-4-methylbenzene
  • 2-Hydroxy-4-methylphenol
  • 5-Methylcatechol
  • 1-Methyl-3,4-dihydroxybenzene
  • NSC 17489
  • p-Methylcatechol
  • 4-Methylbenzcatechin
  • 4-Methyl-1,2-benzediol

Work with 4-Methylcatechol

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

2,4-Dimethylphenol105-67-965 % similar 2,5-Dimethylphenol95-87-465 % similar 2-Chloro-4-methylphenol6640-27-363 % similar 2-Iodo-4-methylphenol16188-57-160 % similar 2-Amino-5-methylphenol2835-98-560 % similar 2-Fluoro-4-methylphenol452-81-360 % similar 2-Chloro-5-methylphenol615-74-760 % similar 2-Fluoro-5-methylphenol63762-79-860 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,6-Dimethyl-γ-pyrone1004-36-0 2-Acetyl-5-methylfuran1193-79-9 3-Methoxyphenol150-19-6 4-Methoxyphenol150-76-5 5-Ethyl-2-furaldehyde23074-10-4 (3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta(b)furan-2-one43119-28-4 2,5-Cyclohexadiene-1-carboxylic acid4794-04-1 3-Methylcatechol488-17-5

Elsewhere

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