sec-Butyl butanoate

  • Identifiers

    CAS number
    819-97-6

    Molecular formula
    C8H16O2

    SMILES
    CCCC(=O)OC(C)CC

  • Odor profile

    fruity 97.98%
    sweet 74.39%
    pineapple 69.83%
    apple 68.87%
    banana 62.93%
    ethereal 56.86%
    tropical 44.82%
    ripe 44.74%
    pear 44.24%
    rummy 41.48%

    Scent© AI

  • Properties

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

    Molecular weight
    144.21 g/mol

  • Synonyms

    • sec-Butyl butyrate
    • 819-97-6
    • 2-Butyl butyrate
    • butan-2-yl butanoate
    • Butyric acid, sec-butyl ester
    • sec-Butyl n-butyrate
    • Butanoic acid, 1-methylpropyl ester
    • 1-methylpropyl butanoate
    • EINECS 212-465-9
    • SEC-BUTYL BUTANOATE
    • F3V310161P
    • 1-METHYLPROPYL BUTYRATE
    • CHEBI:87318
    • DTXSID80862426
    • sec-butylbutyrate
    • UNII-F3V310161P
    • secButyl nbutyrate
    • MFCD15072150
    • Butyric Acid sec-Butyl Ester
    • Butanoic acid, 2-butyl ester
    • SCHEMBL1585214
    • DTXCID00811193
    • B3559
    • NS00042383
    • D89025
    • Q27159521
    • 212-465-9
1 4

Botanical

Name CAS Botanical Proportion
Michelia balansae flower headspace (China) Michelia balansae (A. DC.) Dandy, fam. Magnoliaceae 0.34%
Michelia figo flower headspace (China) Michelia figo (Lour.) Spreng, fam. Magnoliaceae 0.88%