Hexamethylbenzene
Properties
- Molecular formula
- C12H18
- Molar mass
- 162.28 g/mol
- Exact mass
- 162.1409 Da
- Density
- 1.04 g/mL
- Melting point
- 166.5 °C
- Boiling point
- 263.4 °C
- logP
- 3.54Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H312 Harmful in contact with skin75% of notifiers
- H332 Harmful if inhaled75% of notifiers
- H413 May cause long lasting harmful effects to aquatic life25% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P271, P273, P280, P302+P352, P304+P340, P317, P321, P362+P364, P501
Identifiers
CAS number
87-85-4SMILES
Cc1c(C)c(C)c(C)c(C)c1CInChIKey
YUWFEBAXEOLKSG-UHFFFAOYSA-NInChI
InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Benzene, 1,2,3,4,5,6-hexamethyl-
- Benzene, hexamethyl-
- 1,2,3,4,5,6-Hexamethylbenzene
- Mellitene
- NSC 3838
Reactions
Work with Hexamethylbenzene
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
1-Iodo-2,3,4,5,6-pentamethylbenzene3853-91-650 % similar
1-Bromo-2,3,4,5,6-pentamethylbenzene5153-40-250 % similar
Pentamethylbenzene700-12-946 % similar
1,4-Dibromo-2,3,5,6-tetramethylbenzene1646-54-442 % similar
2,3,5,6-Tetrabromo-p-xylene23488-38-242 % similar
2,3,5,6-Tetramethyl-1,4-phenylenediamine3102-87-242 % similar
1,4-Diiodo-2,3,5,6-tetramethylbenzene3268-21-142 % similar
1,3,5-Tribromo-2,4,6-trimethylbenzene608-72-042 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.