Isobutyraldehyde

  • Identifiers

    CAS number
    78-84-2

    Molecular formula
    C4H8O

    SMILES
    CC(C)C=O
    O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 556.0
    • Carbowax: 800.0

  • Odor profile

    fruity 86.13%
    green 81.95%
    fresh 64.04%
    ethereal 63.97%
    pungent 62.77%
    aldehydic 54.67%
    floral 49.99%
    cocoa 48.82%
    chocolate 44.39%
    sharp 43.21%

    Scent© AI

  • Properties

    XLogP3-AA
    0.8 Well soluble in MMB, TEC, IAA

    Molecular weight
    72.11 g/mol

    Melting points

    • -85 °F (NTP, 1992)
    • -65.9 °C
    • -65 °C

    Boiling points

    • 147 °F at 760 mmHg (NTP, 1992)
    • 64 °C @ 760 mm Hg
    • Wt/gal: 6.55 lb; forms azeotrope with water containing 94% isobutyraldehyde; azeotrope BP: 59 °C @ 760 mm Hg; oxidizes slowly on exposure to air, forming isobutyric acid.
    • 63.00 °C. @ 760.00 mm Hg
    • 63-64 °C

    Flash points

    • -40 °F (NTP, 1992)
    • -25 °C
    • LESS THAN 20 °F (OPEN CUP)
    • -10.6 °C (Open cup)
    • -40 °F (closed cup)
    • -24 °C c.c.

    Solubilities

    • less than 1 mg/mL at 66 °F (NTP, 1992)
    • Miscible in ethanol, ether, carbon disulfide, acetone, benzene, toluene, and chloroform.
    • Slightly soluble in carbon tetrachloride
    • In water, 89,000 mg/l @ 25 °C.
    • 89 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 6.7 (moderate)
    • miscible with alcohol, ether; soluble in water 1 ml in 125 ml

  • Synonyms

    • ISOBUTYRALDEHYDE
    • 2-Methylpropanal
    • 78-84-2
    • Isobutanal
    • Isobutylaldehyde
    • 2-Methylpropionaldehyde
    • Propanal, 2-methyl-
    • Isobutyric aldehyde
    • Valine aldehyde
    • 2-Methyl-1-propanal
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Truffle, black (Perigord) Tuber melanosporum, fam. Ascomycetae 5.0%
Basil (Italy) 2 var. hispidum Ocimum basilicum L. cultivar hispidum (Lam.) Chiov., fam. Lamiaceae 0.09%
Basil, var. hispidum (Somalia) Ocimum basilicum L. cultivar hispidum, fam. Lamiaceae (Labiatae) 0.09%
Bouea macrophylla fruit (Malaysia) Bouea macrophylla Grif. (B. gandaria Blume x Miq., fam. Anacardiaceae 0.02%
Oregano, mexican (U.S.A.) 2 Lippia graveolens HBK., fam. Verbenaceae 0.01%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.11%
Truffle, white (Italy) Tuber magnatum Pico, fam. Ascomycetae 0.5%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 1.2%