Octyl formate

  • Identifiers

    CAS number
    112-32-3

    Molecular formula
    C9H18O2

    SMILES
    CCCCCCCCOC=O

    Retention indicies (RI)

    • Carbowax: 1426.0

  • Odor profile

    fruity 84.9%
    green 82.24%
    waxy 74.32%
    floral 67.38%
    citrus 63.71%
    fresh 59.98%
    sweet 56.31%
    fatty 54.64%
    rose 53.62%
    orange 48.19%

    Scent© AI

  • Properties

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

    Molecular weight
    158.24 g/mol

    Melting points

    • -39.1 °C

    Boiling points

    • 87.00 to 89.00 °C. @ 20.00 mm Hg

    Solubilities

    • soluble in most fixed oils, mineral oil, propylene glycol; insoluble in glycerol
    • 1 ml in 5 ml 70% alcohol (in ethanol)

  • Synonyms

    • Octyl formate
    • 112-32-3
    • n-Octyl formate
    • FORMIC ACID, OCTYL ESTER
    • Octyl methanoate
    • n-Octyl methanoate
    • Octyl alcohol, formate
    • 1-Octyl formate
    • formic acid octyl ester
    • Octyl formiate
    • FEMA No. 2809
    • UNII-2XZ47CUU7G
    • EINECS 203-959-5
    • 2XZ47CUU7G
    • NSC 404473
    • BRN 1755259
    • Octyl alcohol, formate (6CI)
    • NSC-404473
    • OCTYL FORMATE [FCC]
    • N-OCTYL FORMATE [FHFI]
    • DTXSID4059417
    • CHEBI:87496
    • FEMA 2809
    • Octyl formic acid
    • N- octyl formate
    • 1- octyl formate
    • Octyl methanoic acid
    • MFCD00046147
    • N-Octyl formic acid
    • Formic acid, octylester
    • SCHEMBL79532
    • DTXCID5033258
    • Octyl formate, >=97%, FCC
    • LMFA07010980
    • NSC404473
    • AKOS024437507
    • AS-85238
    • DB-041076
    • NS00013093
    • E79227
    • Q3077502
    • 203-959-5
1 4

Botanical

Name CAS Botanical Proportion
Dendranthema vestitum flower absolute (China) Dendranthema vestitum (Hemsl.) Ling ex Shih, fam. Asteraceae (Compositae) 0.81%