2-Phenylethyl pentanoate

  • Identifiers

    CAS mumber
    53939-81-4

    Molecular formula
    C13H16O3

    SMILES
    CC(=O)CCC(=O)OCCC1=CC=CC=C1

    Retention indicies (RI)

    • Carbowax: 2034.0

  • Properties

    XLogP3-AA
    1.9 Well soluble in DEP, MMB, TEC

    Molecular weight
    220.26 g/mol

  • Synonyms

    • Phenethyl 4-oxovalerate
    • 53939-81-4
    • 2-phenylethyl 4-oxopentanoate
    • EINECS 258-877-2
    • 2-phenylethyl levulinate
    • ZNF7F9XB7B
    • SCHEMBL7996452
    • DTXSID20202226
    • DB-231654
    • NS00032883
    • Pentanoic acid, 4-oxo-, 2-phenylethyl ester
1 3

Botanical

Name CAS Botanical Proportion
Peppermint (USA) 2 8006-90-4 Mentha piperita L. cultivar Mitcham, fam. Lamiaceae (Labiatae) 0.04%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%