• Identifiers

    CAS number
    6938-06-3

    Molecular formula
    C10H13NO2

    SMILES
    CCCCOC(=O)C1=CN=CC=C1
    OON

    Safety labels

    Irritant
    Irritant

  • Odor profile

    herbal 67.26%
    floral 65.22%
    fruity 63.22%
    sweet 54.63%
    green 43.8%
    balsamic 43.63%
    woody 38.51%
    anisic 31.51%
    tobacco 31.36%
    spicy 28.68%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3 Well soluble in DEP, IAA, BB

    Molecular weight
    179.22 g/mol

    Vapor pressure est.

    • 0.0035 hPa @ 20°C
    • 0.0059 hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    283°C

  • Synonyms

    • Butyl nicotinate
    • 6938-06-3
    • n-Butyl nicotinate
    • 3-Pyridinecarboxylic acid, butyl ester
    • Butyl 3-pyridinecarboxylate
    • butyl pyridine-3-carboxylate
    • Nicotinic acid butyl ester
    • Butylnicotinate
    • Nicotinic acid, butyl ester
    • N-Butyl-nicotinate
NaN of -Infinity
Recommendation
No restriction
Name CAS Botanical Proportion
Averrhoa bilimbi fruit (Malaysia) Averrhoa bilimbi L., fam. Oxalidaceae 1.6%