O-Cymene
Properties
- Molecular formula
- C10H14
- Molar mass
- 134.22 g/mol
- Exact mass
- 134.1096 Da
- Density
- 0.8766 g/mL (at 20 °C)
- Melting point
- −71.5 °C
- Boiling point
- 178.1 °C
- Water solubility
- 23.3 mg/L (25 °C)
- logP
- 3.12Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
Aggregated from 74 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
527-84-4SMILES
Cc1ccccc1C(C)CInChIKey
WWRCMNKATXZARA-UHFFFAOYSA-NInChI
InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Benzene, 1-methyl-2-(1-methylethyl)-
- 1-Methyl-2-(1-methylethyl)benzene
- o-Cymol
- o-Isopropyltoluene
- 1-Methyl-2-isopropylbenzene
- 1-Isopropyl-2-methylbenzene
- 2-Isopropyltoluene
- NSC 73976
- 1-Methyl-2-cumene
- α-Cymene
- 1-Methyl-2-propan-2-ylbenzene
- 1-Methyl-2-(propan-2-yl)benzene
Work with O-Cymene
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
Bis(1-methylethyl)benzene25321-09-965 % similar
2-Isopropyl-6-methylaniline5266-85-359 % similar
1-Iodo-2-isopropylbenzene19099-54-856 % similar
1-Bromo-2-(1-methylethyl)benzene7073-94-152 % similar
2-Isopropylaniline643-28-750 % similar
2-Isopropylphenol88-69-750 % similar
O-Xylene95-47-650 % similar
3-Methyl-4-isopropylphenol3228-02-248 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.