chempirical

Limonene

C10H16CAS 7705-14-8136.24 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C10H16
Molar mass
136.24 g/mol
Exact mass
136.1252 Da
Density
0.8402 g/mL (at 20.85 °C)
Melting point
−95.5 °C
Boiling point
175.5–176.5 °C (at 763 Torr)
logP
3.31Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
7705-14-8
SMILES
C=C(C)C1CC=C(C)CC1
InChIKey
XMGQYMWWDOXHJM-UHFFFAOYSA-N
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3

Weigh it out

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

Names and synonyms

38 names · show all
  • Cyclohexene, 1-methyl-4-(1-methylethenyl)-
  • p-Mentha-1,8-diene
  • 1-Methyl-4-(1-methylethenyl)cyclohexene
  • Cajeputene
  • Cinene
  • Kautschin
  • Nesol
  • 1-Methyl-4-isopropenyl-1-cyclohexene
  • α-Limonene
  • Dipentene
  • 1,8-p-Menthadiene
  • Limonen
  • Cajeputen
  • Cinen
  • Dipenten
  • Eulimen
  • 4-Isopropenyl-1-methyl-1-cyclohexene
  • 4-Isopropenyl-1-methylcyclohexene
  • 1-Methyl-4-isopropenylcyclohexene
  • Flavor orange
  • Orange flavor
  • 1-Methyl-p-isopropenyl-1-cyclohexene
  • PC 560
  • Goldflush II
  • (±)-Dipentene
  • (±)-Limonene
  • Dl-Limonene
  • (±)-α-Limonene
  • NSC 21446
  • NSC 844
  • Roti-histol
  • SF 001
  • Orange X
  • 1-Methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
  • Lemosol
  • Florasolv DPE
  • (±)-1-Methyl-4-(1-methylvinyl)cyclohexene
  • 1-Methyl-4-(1-methylvinyl)cyclohexene

Work with Limonene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(+)-Limonene5989-27-5100 % similar (S)-Limonene5989-54-8100 % similar Perillaldehyde18031-40-859 % similar (-)-Perillyl alcohol18457-55-159 % similar Perillaldehyde2111-75-359 % similar Perillyl alcohol536-59-459 % similar Perillartine30950-27-754 % similar Perillic acid7694-45-354 % similar

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

Same formula

Myrcene123-35-3 β-Pinene127-91-3 3-Carene13466-78-9 β-Ocimene13877-91-3 Limonene138-86-3 (-)-β-Pinene18172-67-3 (±)-α-Pinene2437-95-8 Adamantane281-23-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook