Bis(1-methylethyl)benzene
Properties
- Molecular formula
- C12H18
- Molar mass
- 162.28 g/mol
- Exact mass
- 162.1409 Da
- Density
- 0.9 g/mL
- Melting point
- −40 °C
- Boiling point
- 205 °C
- Flash point
- 77 °C (open cup)
- logP
- 3.93Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 2
Hazards
Danger
- H304 May be fatal if swallowed and enters airways44.5% of notifiers
- H315 Causes skin irritation54.7% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure44.5% of notifiers
- H413 May cause long lasting harmful effects to aquatic life97% of notifiers
Aggregated from 236 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P273, P280, P301+P316, P302+P352, P319, P321, P331, P332+P317, P362+P364, P405, P501
Identifiers
CAS number
25321-09-9SMILES
CC(C)C1=CC=CC=C1C(C)CInChIKey
OKIRBHVFJGXOIS-UHFFFAOYSA-NInChI
InChI=1S/C12H18/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5-10H,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Benzene, bis(1-methylethyl)-
- Benzene, diisopropyl-
- Diisopropylbenzene
- Bis(isopropyl)benzene
Work with Bis(1-methylethyl)benzene
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
O-Cymene527-84-465 % similar
1-Bromo-2-(1-methylethyl)benzene7073-94-165 % similar
1-Iodo-2-isopropylbenzene19099-54-862 % similar
2-Isopropylaniline643-28-762 % similar
2-Isopropylphenol88-69-762 % similar
Propofol2078-54-857 % similar
2,6-Diisopropylaniline24544-04-557 % similar
2-Isopropylbenzeneboronic acid89787-12-254 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds