2-Methylresorcinol

C₇H₈O₂CAS 608-25-3124.14 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₇H₈O₂
Molar mass: 124.14 g/mol
Exact mass: 124.0524 Da
Melting point: 120 °C
Boiling point: 264 °C
logP: 1.41Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed94.8% of notifiers
H315 Causes skin irritation56.2% of notifiers
H317 May cause an allergic skin reaction56.8% of notifiers
H318 Causes serious eye damage61.5% of notifiers
H319 Causes serious eye irritation37.5% of notifiers
H335 May cause respiratory irritation59.4% of notifiers
H400 Very toxic to aquatic life37% of notifiers
H410 Very toxic to aquatic life with long lasting effects15.1% of notifiers

Aggregated from 192 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

608-25-3

SMILES

Cc1c(O)cccc1O

InChIKey

ZTMADXFOCUXMJE-UHFFFAOYSA-N

InChI

InChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3

Weigh it out

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

Names and synonyms

10 names

1,3-Benzenediol, 2-methyl-
Resorcinol, 2-methyl-
2-Methyl-1,3-benzenediol
Toluene-2,6-diol
2-Methylresorcin
1,3-Dihydroxy-2-methylbenzene
2,6-Dihydroxytoluene
2-Methyl-1,3-dihydroxybenzene
NSC 66524
Rodol MRP

Work with 2-Methylresorcinol

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

Dimethylphenol1300-71-671 % similar 2,3-Dimethylphenol526-75-071 % similar 3-Chloro-2-methylphenol3260-87-568 % similar 2-Amino-o-cresol53222-92-768 % similar 3-Bromo-2-methylphenol7766-23-668 % similar 2,3-Dimethylhydroquinone608-43-567 % similar 3-Fluoro-2-methylphenol443-87-865 % similar 3-Hydroxy-2-methylbenzoic acid603-80-554 % 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 4-Methylcatechol452-86-8 2,5-Cyclohexadiene-1-carboxylic acid4794-04-1

Elsewhere

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