chempirical

Carvone

C10H14OCAS 99-49-0150.22 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C10H14O
Molar mass
150.22 g/mol
Exact mass
150.1045 Da
Density
0.96 g/mL (at 26 °C)
Melting point
100 °C
Boiling point
231 °C
Water solubility
1.3 g/L (25 °C)
logP
2.49Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
99-49-0
SMILES
C=C(C)C1CC=C(C)C(=O)C1
InChIKey
ULDHMXUKGWMISQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

17 names · show all
  • 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-
  • p-Mentha-6,8-dien-2-one
  • 2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one
  • p-Mentha-1(6),8-dien-2-one
  • Karvon
  • 5-Isopropyl-2-methyl-2-cyclohexen-1-one
  • DL-Carvone
  • (±)-Carvone
  • 2-Methyl-5-isopropenyl-2-cyclohexenone
  • NSC 6275
  • Limonen-6-one
  • 5-Isopropenyl-2-methylcyclohex-2-enone
  • 2-Methyl-5-(1-methyl-1-ethenyl)-2-cyclohexen-1-one
  • 2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
  • 2-Methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
  • 2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enone
  • Carvone, (+-)-

Work with Carvone

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(-)-Carvone6485-40-1Defined stereoisomer (+)-Carvone2244-16-8Defined stereoisomer

Similar compounds

1-Methyl-4-prop-1-en-2-ylcyclohexene138-86-343 % similar (+)-Limonene5989-27-543 % similar (S)-Limonene5989-54-843 % similar 1-Methyl-4-prop-1-en-2-ylcyclohexene7705-14-843 % similar Perillic acid7694-45-343 % similar Perillaldehyde2111-75-343 % similar (-)-cis-Carveol2102-59-240 % similar (-)-Perillyl alcohol18457-55-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methyl-1-phenyl-2-propanol100-86-7 4-Propylanisole104-45-0 Butyl phenyl ether1126-79-0 Safranal116-26-7 (S)-Verbenone1196-01-6 (R)-(+)-2-Methyl-1-phenyl-1-propanol14898-86-3 4-Butylphenol1638-22-8 Perillaldehyde18031-40-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia