Linalool
Synonyms: Linalool, "3,7-dimethylocta-1,6-dien-3-ol", "Linalol", "3,7-Dimethyl-1,6-octadien-3-ol", "allo-Ocimenol", "beta-Linalool", "p-Linalool", "(+-)-Linalool", "Linanool", "2,6-Dimethyl-2,7-octadien-6-ol", "2,6-Dimethylocta-2,7-dien-6-ol", ".beta.-Linalool", "Linalool (natural)", "2,6-Dimethyl-2,7-octadiene-6-ol", "Caswell No. 526A", "Phantol", "Linolool".
Source: Linalool is a monoterpene compound commonly found as a major component of the essential oils of several aromatic plant species, many of which are used in traditional medical systems as analgesic and anti-inflammatory remedies
Identifiers:
IUPAC Name: 3,7-dimethylocta-1,6-dien-3-ol
CAS Number: 78-70-6
PubChem ID: 6549
InChiKey: CDOSHBSSFJOMGT-UHFFFAOYSA-N
Canonical SMILES: CC(=CCCC(C)(C=C)O)C
Structural Properties:
Molecular Formula: C10H18O
Molecular Weight: 154.25
Pharmacophore Features:
Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 11
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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
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3D structure (.pdbqt)
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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.
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