Hexyl butyrate

  • Identifiers

    CAS mumber
    2639-63-6

    Molecular formula
    C10H20O2

    SMILES
    CCCCCCOC(=O)CCC

    Retention indicies (RI)

    • DB5: 1191.5
    • Carbowax: 1407.4

  • Properties

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

    Molecular weight
    172.26 g/mol

    Melting points

    • -78 °C

    Boiling points

    • 204.00 to 206.00 °C. @ 760.00 mm Hg

  • Synonyms

    • HEXYL BUTYRATE
    • 2639-63-6
    • Hexyl butanoate
    • Butanoic acid, hexyl ester
    • n-Hexyl butyrate
    • n-Hexyl butanoate
    • 1-Hexyl butyrate
    • Butyric Acid Hexyl Ester
    • Butyric acid, hexyl ester
    • n-Hexyl n-butanoate
    • Hexyl butyrate (natural)
    • FEMA No. 2568
    • n-Hexyl n-butyrate
    • EINECS 220-136-6
    • UNII-74HY6P24G7
    • BRN 1754469
    • DTXSID8047559
    • CHEBI:87559
    • AI3-33290
    • 74HY6P24G7
    • HEXYL BUTYRATE [FCC]
    • HEXYL BUTYRATE [FHFI]
    • DTXCID6027559
    • WE(6:0/4:0)
    • nHexyl butyrate
    • nHexyl butanoate
    • 1Hexyl butyrate
    • nHexyl nbutanoate
    • Hexyl butyric acid
    • MFCD00048884
    • n-Butyric acid n-hexyl ester
    • SCHEMBL128437
    • Hexyl butyrate, >=98%, FG
    • CHEMBL3182794
    • Hexyl butyrate, analytical standard
    • Tox21_302445
    • LMFA07010419
    • AKOS015903168
    • Hexyl butyrate, natural, >=98%, FG
    • NCGC00256849-01
    • FH170070
    • LS-13893
    • CAS-2639-63-6
    • B1891
    • CS-0188267
    • NS00012599
    • F71275
    • Q2928816
    • 220-136-6
1 3

Botanical

Name CAS Botanical Proportion
Genet absolute 1 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.03%
Lavender (France) 2a 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.02%
Roman chamomile (Italy) 3 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 3.9%
Roman chamomile (Italy) 2 (headspace) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 1.4%
Lavandin (France) (Abrialis) 1 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.35%
Lavandin (France) (Super) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.66%
Lavandin (France) (Grosso) 1 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.4%
Lavandin (USA) 1a (Dutch) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Dutch cultivar), fam.Lamiaceae 0.33%
Lavandin (USA) 1b (Grappenhall) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Grappenhall cultivar),Lamiacea 0.29%
Lavandin (USA) 1d (Hidcote Giant) 8022-15-9 Lavandula x hydriba Rev. (L. x intermedia) (Hidcote Giant cultivar)Lamiace 0.29%
Lavandin (USA) 1e (Provence) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Provence cultivar), Lamiaceae 0.68%
Lavandin (USA) 1f (Seal) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Seal cultivar), fam. Lamiaceae 0.32%
Lavandin (USA) 1c (Grosso) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Grosso cultivar),fam.Lamiaceae 0.19%
Lavender (USA) (var. Hidcote) 8000-28-0 Lavandula angustigolia Mill. (L. officinalis Chaix) (Hidcote cultivar) 0.25%
Lavender (USA) (var. Mitcham Grey) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Mitcham Grey cult.) 0.17%
Lavender (USA) (var. Munstead) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Munstead cultivar) 0.23%
Lavender (USA) (var. Compacta) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Compacta cultivar) 0.22%
Lavender (USA) (var. Graves) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Graves cultivar) 0.15%
Lavender (USA) (var. Irene Doyle) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Irene Doyle cultivar) 0.51%
Lavender (USA) (var. Maillette) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Maillette cultivar) 0.29%
Lavender (USA) (var. Twickel Purple) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Twickel Purple cult.) 0.27%
Orange, sweet (Japan) (oxygenated compounds) 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Fukuhara, fam. Rutaceae 0.4%
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.38%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 1.0%
Lavandin (Italy) 1 (Grosso) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.4%
Pelargonium citronellum Pelargonium citronellum J.J.A. v.d. Walt, fam. Geraniaceae 0.02%
Osmanthus headspace (flowers) (China) 3 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. latifolius Makino, fam. Oleaceae 0.2%
Lavandin (France) (Grosso) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiesleur), Lamiaceae 0.28%
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.3%
Spike lavender 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.02%
Jasmine rose flower headspace (China) 1 Gardenia jasminoides Ellis, fam. Rubiaceae 0.11%
Passion fruit (China) 2 Passiflora edulis Sims var. flavicarpa Dengener, fam. Passifloraceae 3.38%
Heracleum platytaenium (Turkey) Heracleum platytaenium Boiss. (syn.H. spathyphyllum C.Koch),fam. Apiaceae 2.4%
Lavender (Italy) 1a 8000-28-0 Lavandula angustifolia Mill. (L. officnalis Chaix), fam. Lamiaceae 0.35%
Lavender (Italy) 1b 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.43%
Ambarella fruit Spondias cytherea Sonnerat (Ambarella), fam. Anacardiaceae 0.08%
Lavender (Lithuania) 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.25%
Psidium cattleianum fruit (R‚union Island) Psidium cattleianum Sabine, fam. Myrtaceae 0.2%
Spike lavender (Spain) 5 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.37%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 2.3%
Grapefruit (Japan) 2 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.01%
Spike lavender (Iran) 1a fresh 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.1%
Spike lavender (Iran) 1b dry 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.1%
Parsnip (Germany) 2d green fruit 90082-39-6 Pastinaca sativa L., fam. Apiaceae (Umbelliferae) 6.44%
Parsnip (USA) fruit 90082-39-6 Pastinaca sativa L., fam. Apiaceae (Umbelliferae) 4.9%
Parsnip (Germany) 3a wild fruit 90082-39-6 Pastinaca sativa L., fam. Apiaceae (Umbelliferae) 4.65%
Parsnip (Germany) 3b cultivated fruit 90082-39-6 Pastinaca sativa L., fam. Apiaceae (Umbelliferae) 0.1%
Parsnip (Germany) 3c botanic garden fruit 90082-39-6 Pastinava sativa L., fam. Apiaceae (Umbelliferae) 1.8%
Parsnip flower, headspace 90082-39-6 Pastinaca sativa L., fam. Apiaceae (Umbelliferae) 0.05%
Carapa guianensis Carapa guianensis Aubl., fam. Meliaceae 0.05%