• Identifiers

    CAS number
    6963-56-0

    Molecular formula
    C12H16O3

    SMILES
    CCCC(=O)OCC1=CC=C(C=C1)OC

    Retention indicies (RI)

    • Carbowax: 2274.0
  • Odor profile

    fruity 96.2%
    sweet 82.5%
    floral 75.89%
    cherry 46.96%
    berry 45.68%
    tropical 42.46%
    anisic 41.76%
    plum 41.04%
    apricot 40.89%
    pineapple 35.86%

    Scent© AI

  • Properties

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

    Molecular weight
    208.25 g/mol

    Boiling points

    • 270.00 °C. @ 760.00 mm Hg

    Solubilities

    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • Anisyl butyrate
    • 6963-56-0
    • (4-Methoxyphenyl)methyl butanoate
    • 4-Methoxybenzyl butyrate
    • Butyric acid, p-methoxybenzyl ester
    • Butanoic acid, (4-methoxyphenyl)methyl ester
    • p-Methoxybenzyl butyrate
    • Benzyl alcohol, p-methoxy-, butyrate
    • Methoxybenzyl butyrate, p-
    • FEMA No. 2100
    • 4-Methoxybenzyl butanoate
    • Z8T0G5UDPH
    • Methoxybenzyl alcohol butyrate, p-
    • EINECS 230-163-5
    • NSC 53797
    • UNII-Z8T0G5UDPH
    • NSC-53797
    • ANISYL BUTYRATE [FHFI]
    • DTXSID2064523
    • ANISYL BUTYRATE [USP-RS]
    • Butyric acid, p-methoxybenzyl ester (8CI)
    • ANISYL BUTYRATE (USP-RS)
    • para-anisyl butyrate
    • 4-Methoxybenzyl butyrate #
    • SCHEMBL357272
    • p-Methoxybenzyl alcohol butyrate
    • DTXCID3046538
    • FEMA 2100
    • CHEBI:173598
    • NSC53797
    • AKOS024324114
    • DB-220138
    • NS00011987
    • Q27295150
    • Anisyl butyrate, United States Pharmacopeia (USP) Reference Standard
    • 230-163-5
1 of 4
Name CAS Botanical Proportion
Anise (Colombia) 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.19%