• Identifiers

    CAS number
    626-77-7

    Molecular formula
    C9H18O2

    SMILES
    CCCCCC(=O)OCCC

    Retention indicies (RI)

    • Carbowax: 1298.0
  • Odor profile

    fruity 97.67%
    green 75.26%
    pineapple 72.6%
    sweet 69.71%
    apple 69.1%
    banana 59.1%
    winey 57.56%
    tropical 55.3%
    ripe 49.12%
    waxy 48.62%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9 Well soluble in DEP, BB, MMB

    Molecular weight
    158.24 g/mol

    Melting points

    • -69 °C

    Boiling points

    • 184.00 to 187.00 °C. @ 760.00 mm Hg

    Solubilities

    • soluble in alcohol; insoluble in water

  • Synonyms

    • PROPYL HEXANOATE
    • 626-77-7
    • Propyl caproate
    • Caproic acid propyl ester
    • Hexanoic acid, propyl ester
    • n-Propyl hexanoate
    • Hexanoic Acid Propyl Ester
    • FEMA No. 2949
    • Propyl hexanoate (natural)
    • propionyl hexanoate
    • n-Propyl n-hexanoate
    • UNII-30A840S94U
    • EINECS 210-963-0
    • NSC 53784
    • NSC-53784
    • 30A840S94U
    • 1-PROPYL N-CAPROATE
    • AI3-06014
    • DTXSID3060823
    • CHEBI:87365
    • FEMA 2949
    • WE(3:0/6:0)
    • propylhexanoate
    • n-propyl hexanoaten
    • Propyl caproic acid
    • Propyl hexanoic acid
    • MFCD00053803
    • Caproate propyl ester
    • Hexanoate propyl ester
    • Propionyl hexanoic acid
    • Caproic acid propylester
    • caproyl acid propyl ester
    • SCHEMBL125719
    • DTXCID5043421
    • Propyl hexanoate, >=98%, FG
    • N-PROPYL HEXANOATE [FHFI]
    • NSC53784
    • LMFA07010435
    • AKOS008948029
    • CS-W014332
    • HY-W013616
    • Propyl hexanoate, natural, >=95%, FG
    • LS-13710
    • DB-003611
    • NS00022561
    • P1940
    • D92174
    • Q3135041
    • 210-963-0
1 of 4
Name CAS Botanical Proportion
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 0.22%
Astrocarium vulgare fruit Astrocarium vulgare Mart., fam. Arecaceae 0.9%