Hexyl isobutyrate

  • Identifiers

    CAS number
    2349-07-7

    Molecular formula
    C10H20O2

    SMILES
    CCCCCCOC(=O)C(C)C
    OO

    Retention indicies (RI)

    • DB5: 1150.0
    • Carbowax: 1336.0

  • Odor profile

    fruity 96.99%
    green 86.18%
    sweet 73.87%
    apple 73.28%
    tropical 64.82%
    banana 60.11%
    pineapple 55.58%
    waxy 55.43%
    pear 53.62%
    ripe 49.27%

    Scent© AI

  • Properties

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

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • 0.3201 hPa @ 20°C
    • 0.4807 hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling points

    • 198.00 to 199.00 °C. @ 760.00 mm Hg

    Solubilities

    • very slightly
    • soluble in alcohol, propylene glycol; miscible with most fixed oils; insoluble in water

  • Synonyms

    • Hexyl isobutyrate
    • 2349-07-7
    • HEXYL 2-METHYLPROPANOATE
    • Propanoic acid, 2-methyl-, hexyl ester
    • n-Hexyl isobutyrate
    • Hexyl isobutanoate
    • 1-Hexyl isobutyrate
    • Isobutyric acid, hexyl ester
    • n-Hexyl isobutanoate
    • Hexyl 2-methylpropionate
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Shanqiu Anaphalis margaritacea (L.) Benth.et Hook.(Shanqiu),fam.Asteraceae (Comp.) 0.01%
Lavandin (France) (Abrialis) 1 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.13%
Lavandin (France) (Super) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.15%
Lavandin (France) (Grosso) 1 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.2%
Lavandin (USA) 1a (Dutch) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Dutch cultivar), fam.Lamiaceae 0.06%
Lavandin (USA) 1b (Grappenhall) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Grappenhall cultivar),Lamiacea 0.2%
Lavandin (USA) 1d (Hidcote Giant) 8022-15-9 Lavandula x hydriba Rev. (L. x intermedia) (Hidcote Giant cultivar)Lamiace 0.07%
Lavandin (USA) 1e (Provence) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Provence cultivar), Lamiaceae 0.17%
Lavandin (USA) 1f (Seal) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Seal cultivar), fam. Lamiaceae 0.07%
Lavandin (USA) 1c (Grosso) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Grosso cultivar),fam.Lamiaceae 0.06%
Lavender (USA) (var. Loddon pink) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Loddon pink cultivar) 0.03%
Lavender (USA) (var. Jean Davis) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Jean Davis cultivar) 0.16%
Lavender (USA) (var. Rosea) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Rosea cultivar) 0.04%
Lavender (USA) (var. Hidcote) 8000-28-0 Lavandula angustigolia Mill. (L. officinalis Chaix) (Hidcote cultivar) 0.03%
Lavender (USA) (var. Mitcham Grey) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Mitcham Grey cult.) 0.02%
Lavender (USA) (var. Munstead) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Munstead cultivar) 0.04%
Lavender (USA) (var. Compacta) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Compacta cultivar) 0.04%
Lavender (USA) (var. Graves) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Graves cultivar) 0.05%
Lavender (USA) (var. Irene Doyle) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Irene Doyle cultivar) 0.02%
Lavender (USA) (var. Maillette) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Maillette cultivar) 0.06%
Lavender (USA) (var. Twickel Purple) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Twickel Purple cult.) 0.04%
Empleurum fragrans Empleurum fragrans Glover, fam. Diosmeae 4.6%
Orange, sweet (Japan) (oxygenated compounds) 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Fukuhara, fam. Rutaceae 0.01%
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.08%
Lavandin (Italy) 1 (Grosso) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.09%
Hop (China) 8007-04-3 Humulus lupulus L., fam. Cannabaceae 0.1%
Lavandin (France) (Grosso) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiesleur), Lamiaceae 0.04%
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.14%
Spike lavender 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.01%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Jasmine rose flower headspace (China) 1 Gardenia jasminoides Ellis, fam. Rubiaceae 0.14%
Lavender (Lithuania) 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.06%
Cornmint (Mentha arvensis) Mongolia 68917-18-0 Mentha arvensis (L.) var. piperascens Malinv., fam. Lamiaceae (Labiatae) 0.03%
Spike lavender (Spain) 5 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.15%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 1.4%
Myrtle leaf (Turkey) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Lavender (France) 8 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.02%
Lavender (Bulgaria) 2 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.03%
Lavender (Ukraine) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.03%
Lavender (Australia) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.03%
Lavender (Moldova) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.02%
Lavandin (Hvar) 8022-15-9 Lavandula x hybrida 0.26%
Lavender angustifolia (France) 7 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.08%