Butyl propionate

  • Identifiers

    CAS number
    590-01-2

    Molecular formula
    C7H14O2

    SMILES
    CCCCOC(=O)CC
    OO

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • Carbowax: 1130.0

  • Odor profile

    fruity 97.86%
    sweet 84.91%
    ethereal 72.82%
    pineapple 72.32%
    banana 67.94%
    apple 64.55%
    rummy 58.09%
    green 52.34%
    tropical 51.82%
    ripe 49.48%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1 Well soluble in IAA, DEP, MMB

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • 4.4239 hPa @ 20°C
    • 6.1889 hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    145°C

    Melting point expt.

    • -128 °F (USCG, 1999)
    • -89 °C
    • -90 °C

    Boiling point expt.

    • 296.2 °F at 760 mmHg (USCG, 1999)
    • 145.00 °C. @ 756.00 mm Hg
    • 146 °C

    Flash point expt.

    • 101 °F (USCG, 1999)
    • 32 °C

    Solubility expt.

    • 1.5 mg/mL at 20 °C
    • Solubility in water: poor
    • miscible with alcohol, ether; slightly soluble in water

  • Synonyms

    • Butyl propionate
    • 590-01-2
    • Butyl propanoate
    • N-BUTYL PROPIONATE
    • Propanoic acid, butyl ester
    • n-Butyl propanoate
    • Propionic Acid Butyl Ester
    • Propionic acid, butyl ester
    • Butyl propionate (natural)
    • n-Butyl n-propionate
NaN -Infinity

IFRA Standard 51

Recommendation
No restriction

Botanical

Name CAS Botanical Proportion
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.01%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Orange leaf, sweet (Mauritius) Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.17%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%