Isoamyl tiglate

  • Identifiers

    CAS number
    41519-18-0

    Molecular formula
    C10H18O2

    SMILES
    C/C=C(\C)/C(=O)OCCC(C)C

    Retention indicies (RI)

    • Carbowax: 1469.0

  • Odor profile

    fruity 85.13%
    floral 73.85%
    herbal 70.53%
    chamomile 58.55%
    apple 55.67%
    sweet 51.46%
    rose 48.65%
    green 44.48%
    winey 43.55%
    woody 40.59%

    Scent© AI

  • Properties

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

    Molecular weight
    170.25 g/mol

  • Synonyms

    • Isoamyl tiglate
    • 41519-18-0
    • 3-methylbutyl (E)-2-methylbut-2-enoate
    • 2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (2E)-
    • EINECS 255-423-5
    • (E)-3-Methylbutyl 2-methyl-2-butenoate
    • AI3-33798
    • 2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (E)-
    • DTXSID40885838
    • i-amyltiglate
    • 3-methylbutyl (2Z)-2-methylbut-2-enoate
    • JD9PHL6H3M
    • Isoamyl tiglate, >=97%
    • SCHEMBL872903
    • SCHEMBL3507005
    • DTXCID80909582
    • NS00127120
    • Q63396439
1 4

Botanical

Name CAS Botanical Proportion
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.03%
Roman chamomile (Japan) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.44%
Helichrysum stoechas (France) 8023-85-8 Helichrysum stoechas L., fam. Asteraceae (Compositae) 0.01%
Manuka (New Zealand) 2 Leptospermum scoparium J.R. et G. Forst., fam. Myrtaceae 0.1%
Manuka (New Zealand) 1 Leptospermum scoparium J.R. et F. Forst., fam. Myrtaceae 0.09%