Pentyl butanoate

  • Identifiers

    CAS number
    540-18-1

    Molecular formula
    C9H18O2

    SMILES
    CCCCCOC(=O)CCC

    Retention indicies (RI)

    • DB5: 1093.5
    • Carbowax: 1305.0

  • Odor profile

    fruity 98.16%
    sweet 75.11%
    pineapple 74.24%
    apple 72.61%
    banana 65.72%
    green 57.83%
    ethereal 55.39%
    tropical 54.68%
    ripe 52.09%
    pear 48.96%

    Scent© AI

  • Properties

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

    Molecular weight
    158.24 g/mol

    Melting points

    • -73.2 °C

    Boiling points

    • 185.00 to 187.00 °C. @ 760.00 mm Hg

    Flash points

    • 135 °F (NFPA, 2010)

    Solubilities

    • 0.06 mg/mL at 20 °C
    • soluble in alcohol, ether

  • Synonyms

    • PENTYL BUTYRATE
    • Amyl butyrate
    • Pentyl butanoate
    • 540-18-1
    • n-Amyl butyrate
    • Butanoic acid, pentyl ester
    • 1-Pentyl butyrate
    • Amyl butanoate
    • n-Pentyl butanoate
    • Butyric acid, pentyl ester
    • n-Pentyl n-butyrate
    • n-Pentyl butyrate
    • Amyl butyrate (natural)
    • FEMA No. 2059
    • Butanoic acid pentyl ester
    • UNII-3Q2JP0VD8J
    • NSC 7935
    • EINECS 208-739-2
    • N-Amyl n-butyrate
    • BRN 1752307
    • DTXSID4041604
    • CHEBI:87684
    • AI3-06124
    • Pentyl butanoate, 9CI
    • N-Amyl butyrate, 8CI
    • NSC-7935
    • AMYL BUTYRATE [FCC]
    • 3Q2JP0VD8J
    • AMYL BUTYRATE [FHFI]
    • N-AMYL BUTYRATE [MI]
    • DTXCID2021604
    • FEMA 2059
    • amylbutyrat
    • Amyl butyric acid
    • Amyl butanoic acid
    • Pentyl butanoic acid
    • MFCD00048850
    • N-Amyl butyric acid
    • Butyric Acid Amyl Ester
    • n-Butyric acid n-amyl ester
    • WLN: 5OV3
    • SCHEMBL117196
    • Amyl butyrate, >=98%, FG
    • CHEMBL3183048
    • NSC7935
    • Tox21_302013
    • LMFA07010989
    • AKOS015903371
    • SFE 5:0/4:0
    • NCGC00255424-01
    • CAS-540-18-1
    • B0755
    • NS00011958
    • Q419484
1 4

Botanical

Name CAS Botanical Proportion
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.03%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.2%
Mango (Cameroon) headspace of ripe fruit 90063-86-0 Mangifera indica L., fam. Anacardiaceae 0.62%
Papaya (Cameroon) headspace of ripe fruit Carica papaya L., 0.07%