Methyl dihydrojasmonate

Synonyms: methyl 2-(3-oxo-2-pentylcyclopentyl)acetate, "Hedione", "Methyl dihydrojasmonate", "Kharismal", "Methyl (3-oxo-2-pentylcyclopentyl)acetate", "Methyl 3-oxo-2-pentylcyclopentaneacetate", "Methyl (2-pentyl-3-oxocyclopentyl)acetate", "Methyl 3-oxo-2-pentyl-cyclopentaneacetate".

Source: Methyl dihydrojasmonate is an aroma compound, that smells similar to jasmine.

Identifiers:

IUPAC Name: methyl 2-(3-oxo-2-pentylcyclopentyl)acetate
CAS Number: 24851-98-7
PubChem ID: 102861
InChiKey: KVWWIYGFBYDJQC-UHFFFAOYSA-N
Canonical SMILES: CCCCCC1C(CCC1=O)CC(=O)OC

Structural Properties:

Molecular Formula: C₁₃H₂₂O₃
Molecular Weight: 226.31

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 3
Number of atoms different from hydrogen: 16

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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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