Isodurene
Properties
- Molecular formula
- C10H14
- Molar mass
- 134.22 g/mol
- Exact mass
- 134.1096 Da
- Density
- 0.8906 g/mL (at 20 °C)
- Melting point
- −23.7 °C
- Boiling point
- 198 °C
- Flash point
- 63.3 °C
- logP
- 2.92Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation23.1% of notifiers
- H319 Causes serious eye irritation97.5% of notifiers
Aggregated from 121 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
527-53-7SMILES
Cc1cc(C)c(C)c(C)c1InChIKey
BFIMMTCNYPIMRN-UHFFFAOYSA-NInChI
InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Benzene, 1,2,3,5-tetramethyl-
- 1,2,3,5-Tetramethylbenzene
- 1,3,4,5-Tetramethylbenzene
- NSC 8091
Reactions
Work with Isodurene
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
2,3,5-Trimethylphenol697-82-564 % similar
1-Methoxy-2,3,5-trimethylbenzene20469-61-858 % similar
Pentamethylbenzene700-12-956 % similar
Iodomesitylene4028-63-155 % similar
2,4,6-Trimethylthiophenol1541-10-252 % similar
2-Chloromesitylene1667-04-552 % similar
Trimesitylphosphine23897-15-652 % similar
Mesityl fluoride392-69-852 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds