Isoamyl butyrate

  • Identifiers

    CAS mumber
    106-27-4

    Molecular formula
    C9H18O2

    SMILES
    CCCC(=O)OCCC(C)C

    Retention indicies (RI)

    • DB5: 1054.5
    • Carbowax: 1260.25

  • Properties

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

    Molecular weight
    158.24 g/mol

    Melting points

    • -73.2 °C

    Boiling points

    • 179.00 °C. @ 760.00 mm Hg

    Solubilities

    • 118 mg/L @ 25 °C (exp)
    • insoluble in water; 50% soluble in heptane or triacetin
    • 50% soluble in ethanol (in ethanol)
    • Soluble in ethanol and most fixed oils, insoluble in glycerol, propylene glycol and water
    • 1ml in 4ml 70% ethanol (in ethanol)

  • Synonyms

    • Isoamyl butyrate
    • Isopentyl butyrate
    • 106-27-4
    • 3-Methylbutyl butanoate
    • Isoamyl butanoate
    • ISOPENTYL BUTANOATE
    • 3-Methylbutyl butyrate
    • Butanoic acid, 3-methylbutyl ester
    • Butyric acid, isopentyl ester
    • Isoamyl-n-butyrate
    • Isopentyl alcohol, butyrate
    • Isoamyl butylate
    • Butyric acid isoamylester
    • FEMA No. 2060
    • Isoamyl butyrate (natural)
    • Isopentyl-n-butyrate
    • 3-Methyl-1-butyl butanoate
    • CCRIS 6556
    • butanoic acid 3-methylbutyl ester
    • NSC 6548
    • EINECS 203-380-8
    • UNII-505AFM77VU
    • iso-Amyl n-butyrate
    • BRN 1702557
    • 505AFM77VU
    • DTXSID3042059
    • CHEBI:87422
    • AI3-06126
    • NSC-6548
    • 3-Methylbutyl n-butyrate
    • butyric acid isopentyl ester
    • WE(4:0(3Me)/4:0)
    • ISOAMYL BUTYRATE [MI]
    • ISOAMYL BUTYRATE [FCC]
    • ISOAMYL BUTYRATE [FHFI]
    • DTXCID1022059
    • Isoamyl n-Butyrate
    • Butyric Acid Isoamyl Ester
    • isoamylbutyrate
    • Isoamyl butyric acid
    • MFCD00044888
    • SCHEMBL112594
    • CHEMBL3187370
    • NSC6548
    • Tox21_300384
    • Isoamyl butyrate, analytical standard
    • LMFA07010574
    • AKOS015907968
    • CS-W016198
    • HY-W015482
    • Isoamyl butyrate, >=98%, FCC, FG
    • NCGC00248015-01
    • NCGC00254545-01
    • CAS-106-27-4
    • LS-13707
    • DB-254948
    • B0760
    • NS00012653
    • E75851
    • Isoamyl butyrate, natural, >=98%, FCC, FG
    • A801410
    • Q49081089
1 3

Botanical

Name CAS Botanical Proportion
Roman chamomile (Italy) 3 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 2.6%
Roman chamomile (Italy) 2 (headspace) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 3.4%
Pistacia lentiscus (Spain) 1a leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.12%
Pistacia lentiscus (Spain) 1b unripe fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.21%
Pistacia lentiscus (Spain) 1c ripe fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.3%
Pistacia lentiscus fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.2%
Pistacia lentiscus (Israel) 1b leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 1.12%
Pistacia lentiscus (Israel) 1a fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.58%
Gingergrass (India) 5 Cymbopogon martini Stapf., var. sofia, fam. Poaceae (Gramineae) 0.08%
Juniper leaf (France) 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.01%
Artabotrys hexapetalus flower headspace (China) Artabotrys hexapetalus (L.) f. Bhandari, fam. Annonaceae 0.2%
Pistacia lentiscus (Spain) 3 whole plant 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.2%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.04%
Hyptis crenata (Brazil) Hyptis crenata Pohl ex Benth, fam. Lamiaceae (Labiatae) 0.1%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.3%
Eucalyptus tereticornis (Cuba) Eucalyptus tereticornis Smith, fam. Myrtaceae 0.01%
Mango (Cameroon) headspace of ripe fruit 90063-86-0 Mangifera indica L., fam. Anacardiaceae 0.05%
Papaya (Cameroon) headspace of ripe fruit Carica papaya L., 15.6%