Creosol
Properties
- Molecular formula
- C8H10O2
- Molar mass
- 138.17 g/mol
- Exact mass
- 138.0681 Da
- Density
- 1.0789 g/mL (at 38.6 °C)
- Melting point
- 5.5 °C
- Boiling point
- 221 °C
- logP
- 1.71Crippen estimate
- Polar surface area
- 29.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed99.8% of notifiers
- H315 Causes skin irritation99.8% of notifiers
- H317 May cause an allergic skin reaction97.2% of notifiers
- H319 Causes serious eye irritation99.7% of notifiers
Aggregated from 1,728 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
93-51-6SMILES
COc1cc(C)ccc1OInChIKey
PETRWTHZSKVLRE-UHFFFAOYSA-NInChI
InChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- Phenol, 2-methoxy-4-methyl-
- p-Cresol, 2-methoxy-
- 2-Methoxy-4-methylphenol
- Homoguaiacol
- 4-Hydroxy-3-methoxy-1-methylbenzene
- 4-Hydroxy-3-methoxytoluene
- 2-Methoxy-p-cresol
- p-Methylguaiacol
- 4-Methylguaiacol
- p-Creosol
- 4-Methyl-2-methoxyphenol
- 3-Methoxy-4-hydroxytoluene
- NSC 4969
- 3-Methoxy-4-hydroxybenzaldhyde
- Methyl guaiacol
Reactions
Work with Creosol
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
3,4-Dimethoxytoluene494-99-563 % similar
2-Methoxyhydroquinone824-46-462 % similar
2-Ethoxy-4-methylphenol2563-07-759 % similar
2-Methoxy-1,4-dimethylbenzene1706-11-259 % similar
4-Fluoro-2-methoxyphenol450-93-158 % similar
4-Amino-2-methoxyphenol52200-90-558 % similar
4-Methylcatechol452-86-856 % similar
4-Methylsyringol6638-05-755 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds