Limonene

Synonyms: Dipentene, "Limonene", "Cinene", "Cajeputene", "DL-Limonene", "Kautschin", "p-Mentha-1,8-diene", "Polylimonene", "Dipenten", "Eulimen", "Nesol", "Limonen", "Cajeputen", "Cinen", "1,8-p-Menthadiene", "Inactive limonene", "Acintene DP dipentene", "Polydipentene", "Dipanol", "Unitene", "alpha-Limonene", "Orange flavor", "Flavor orange", "Limonene polymer", "Cyclohexene, 1-methyl-4-(1-methylethenyl)-", "Goldflush II", "Dipentene polymer", "Acintene DP", "1-Methyl-4-(1-methylethenyl)cyclohexene", "Di-p-mentha-1,8-diene", "1,8(9)-p-Menthadiene", "4-Isopropenyl-1-methyl-1-cyclohexene".

Source: Limonene is used as a flavour and fragrance additive in food, household cleaning products, cosmetics and perfumes.

Identifiers:

IUPAC Name: 1-methyl-4-prop-1-en-2-ylcyclohexene
CAS Number: 138-86-3
PubChem ID: 22311
InChiKey: XMGQYMWWDOXHJM-UHFFFAOYSA-N
Canonical SMILES: CC1=CCC(CC1)C(=C)C

Structural Properties:

Molecular Formula: C₁₀H₁₆
Molecular Weight: 136.23

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 10

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Evidence Supporting This Chemical as an Emerging Contaminant

Montes-Grajales, D., Fennix-Agudelo, M., & Miranda-Castro, W. (2017). Occurrence of personal care products as emerging chemicals of concern in water resources: A review. Science of the Total Environment, 595, 601-614.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure