2,3,5-Trimethylphenol
Properties
- Molecular formula
- C9H12O
- Molar mass
- 136.19 g/mol
- Exact mass
- 136.0888 Da
- Melting point
- 93.5 °C
- Boiling point
- 230.5 °C
- logP
- 2.32Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H314 Causes severe skin burns and eye damage37.6% of notifiers
- H315 Causes skin irritation62.4% of notifiers
- H319 Causes serious eye irritation62.4% of notifiers
- H335 May cause respiratory irritation57.3% of notifiers
Aggregated from 157 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
697-82-5SMILES
Cc1cc(C)c(C)c(O)c1InChIKey
OGRAOKJKVGDSFR-UHFFFAOYSA-NInChI
InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Phenol, 2,3,5-trimethyl-
- Isopseudocumenol
- 1-Hydroxy-2,3,5-trimethylbenzene
- 6-Hydroxypseudocumene
- NSC 5296
- 3,5,6-Trimethylphenol
Work with 2,3,5-Trimethylphenol
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
2,5-Dimethylresorcin488-87-973 % similar
Isodurene527-53-764 % similar
Mesitol527-60-652 % similar
2,4-Dimethylphenol105-67-952 % similar
2,5-Dimethylphenol95-87-452 % similar
Trimethylhydroquinone700-13-050 % similar
1-Methoxy-2,3,5-trimethylbenzene20469-61-847 % similar
Dimethylphenol1300-71-646 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.