Thymol isobutyrate

  • Identifiers

    CAS number
    5451-67-2

    Molecular formula
    C14H20O2

    SMILES
    CC1=CC(=C(C=C1)C(C)C)OC(=O)C(C)C

  • Odor profile

    fruity 71.13%
    herbal 64.06%
    spicy 47.41%
    woody 38.39%
    animal 33.57%
    phenolic 32.03%
    dry 29.99%
    sweet 29.84%
    floral 28.51%
    mint 26.61%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1 Well soluble in BB, DEP, IPM

    Molecular weight
    220.31 g/mol

  • Synonyms

    • Thymol isobutyrate
    • 5451-67-2
    • 2-Isopropyl-5-methylphenyl isobutyrate
    • (5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate
    • (5-methyl-2-propan-2-ylphenyl)2-methylpropanoate
    • Thymyl isobutyrate
    • NSC21848
    • Thymol, isobutyrate
    • starbld0036172
    • Isobutyric acid, thymyl ester
    • SCHEMBL14947268
    • DTXSID30969717
    • HTPVUEJWIFHSCK-UHFFFAOYSA-N
    • FAA45167
    • NSC-21848
    • AKOS040762997
    • 5-Methyl-2-(propan-2-yl)phenyl 2-methylpropanoate
    • Propanoic acid, 2-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester
1 4

Botanical

Name CAS Botanical Proportion
Schizogyne glaberrima (Spain/Canary Islands) Schizogyne glaberrima DC., fam. Asteraceae (Compositae) 0.9%