2-Butyl-2-octenal

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  • Identifiers

    CAS number
    13019-16-4

    Molecular formula
    C12H22O

    SMILES
    CCCCC/C=C(/CCCC)\C=O

  • Odor profile

    Green 74.97%
    Fruity 72.55%
    Fatty 66.85%
    Waxy 54.81%
    Citrus 52.8%
    Aldehydic 45.47%
    Oily 41.76%
    Fresh 40.73%
    Herbal 38.76%
    Metallic 36.66%

    Scent© AI

  • Properties

    XLogP3-AA
    4.5

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point est.
    102.56 ˚C

  • Synonyms

    • 2-Butyloct-2-enal
    • (Z)-2-butyloct-2-enal
    • 2-BUTYL-2-OCTENAL
    • 13019-16-4
    • 2-Octenal, 2-butyl-
    • 99915-14-7
    • 2-n-Butyloct-2-enal
    • 2-Hexylidenehexanal, Z-
    • 2-Butyl-2-octenal, (2Z)-
    • 2-Octenal, 2-butyl-, (Z)-
    • FEMA no. 4616, Z-
    • 2-Octenal, 2-butyl-, (2Z)-
    • 82P740211E
    • 49D14RAJ7M
    • DTXSID20864348
    • 2-HEXYLIDENEHEXANAL
    • (2Z)-2-Butyl-2-octenal
    • FEMA NO. 4616
    • SCHEMBL18338965
    • 2-BUTYL-2-OCTEN-1-AL
    • DTXCID10812878
    • UNII-82P740211E
    • (2Z)-2-BUTYLOCT-2-ENAL
    • AKOS016010683
    • DS-5714
    • CS-0161425
    • C72202
    • Q27269343

  • Applications

    2-Butyl-2-octenal (CAS 13019-16-4) is a twelve-carbon α,β-unsaturated aldehyde with a fresh green-metallic odour that finds broad application in flavour and fragrance manufacturing, cosmetic formulations, agrochemical research and general organic synthesis: in perfumery it is incorporated in top-note accords to deliver leafy, cucumber and citrus nuances to eau-fraiche perfumes, deodorants and premium soaps; in the food industry it serves as a key intermediate for producing natural-identical flavour blends that imitate apple, pear and melon profiles; in synthetic chemistry its activated aldehyde group allows it to act as a chain-extension agent, an acetal precursor or a Michael acceptor for elaborating pharmaceutical building blocks, specialty surfactants and crop-protection actives; moreover, owing to its moderate volatility, the compound is being explored as an odour modifier for sulfur-containing components in biofuels.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9598.85
    methanol 7124.83
    isopropanol 10021.05
    water 0.05
    ethyl acetate 13652.67
    n-propanol 8765.23
    acetone 19959.59
    n-butanol 8608.81
    acetonitrile 10089.81
    DMF 10594.26
    toluene 4295.3
    isobutanol 7166.37
    1,4-dioxane 9321.51
    methyl acetate 7587.98
    THF 12736.79
    2-butanone 13454.29
    n-pentanol 4507.13
    sec-butanol 7908.21
    n-hexane 2970.72
    ethylene glycol 392.09
    NMP 5700.02
    cyclohexane 4347.16
    DMSO 8362.48
    n-butyl acetate 9767.02
    n-octanol 1556.23
    chloroform 13116.31
    n-propyl acetate 6903.77
    acetic acid 3751.41
    dichloromethane 14434.25
    cyclohexanone 15437.72
    propylene glycol 923.58
    isopropyl acetate 7523.76
    DMAc 4452.96
    2-ethoxyethanol 3372.19
    isopentanol 7028.57
    n-heptane 1233.14
    ethyl formate 4918.3
    1,2-dichloroethane 13251.75
    n-hexanol 5609.76
    2-methoxyethanol 6740.05
    isobutyl acetate 3225.29
    tetrachloromethane 2623.63
    n-pentyl acetate 3923.95
    transcutol 11718.14
    n-heptanol 1610.73
    ethylbenzene 2025.4
    MIBK 5266.68
    2-propoxyethanol 5257.59
    tert-butanol 9808.33
    MTBE 11884.52
    2-butoxyethanol 2460.32
    propionic acid 3962.38
    o-xylene 1835.47
    formic acid 473.93
    diethyl ether 16092.33
    m-xylene 2377.59
    p-xylene 2281.15
    chlorobenzene 5192.43
    dimethyl carbonate 1341.67
    n-octane 382.79
    formamide 1098.44
    cyclopentanone 11454.4
    2-pentanone 13478.76
    anisole 2934.71
    cyclopentyl methyl ether 8570.74
    gamma-butyrolactone 9048.49
    1-methoxy-2-propanol 5839.1
    pyridine 10786.48
    3-pentanone 7325.26
    furfural 5511.42
    n-dodecane 172.75
    diethylene glycol 1907.62
    diisopropyl ether 3722.29
    tert-amyl alcohol 6814.77
    acetylacetone 7473.35
    n-hexadecane 211.36
    acetophenone 2422.25
    methyl propionate 6853.45
    isopentyl acetate 7164.45
    trichloroethylene 17907.49
    n-nonanol 1284.97
    cyclohexanol 7374.17
    benzyl alcohol 2045.62
    2-ethylhexanol 3504.72
    isooctanol 1431.87
    dipropyl ether 6295.34
    1,2-dichlorobenzene 3589.54
    ethyl lactate 1207.76
    propylene carbonate 4593.34
    n-methylformamide 4184.7
    2-pentanol 6919.98
    n-pentane 2281.82
    1-propoxy-2-propanol 4900.02
    1-methoxy-2-propyl acetate 4827.45
    2-(2-methoxypropoxy) propanol 1634.06
    mesitylene 1429.27
    ε-caprolactone 9298.54
    p-cymene 1064.89
    epichlorohydrin 11280.49
    1,1,1-trichloroethane 11695.83
    2-aminoethanol 1513.21
    morpholine-4-carbaldehyde 5084.38
    sulfolane 7457.53
    2,2,4-trimethylpentane 545.25
    2-methyltetrahydrofuran 13052.8
    n-hexyl acetate 4321.69
    isooctane 542.05
    2-(2-butoxyethoxy)ethanol 2638.16
    sec-butyl acetate 4110.35
    tert-butyl acetate 5913.89
    decalin 900.52
    glycerin 841.23
    diglyme 5362.78
    acrylic acid 2292.36
    isopropyl myristate 1324.97
    n-butyric acid 9210.04
    acetyl acetate 4132.22
    di(2-ethylhexyl) phthalate 738.8
    ethyl propionate 5263.44
    nitromethane 7128.11
    1,2-diethoxyethane 7687.45
    benzonitrile 4070.38
    trioctyl phosphate 645.86
    1-bromopropane 11372.32
    gamma-valerolactone 10691.35
    n-decanol 867.54
    triethyl phosphate 979.84
    4-methyl-2-pentanol 2704.72
    propionitrile 9002.96
    vinylene carbonate 3755.62
    1,1,2-trichlorotrifluoroethane 4773.52
    DMS 2175.69
    cumene 1067.2
    2-octanol 1313.44
    2-hexanone 6798.96
    octyl acetate 1517.02
    limonene 2213.59
    1,2-dimethoxyethane 7642.19
    ethyl orthosilicate 1068.04
    tributyl phosphate 936.07
    diacetone alcohol 4171.77
    N,N-dimethylaniline 1503.87
    acrylonitrile 7409.93
    aniline 4109.2
    1,3-propanediol 3041.36
    bromobenzene 5911.53
    dibromomethane 11672.0
    1,1,2,2-tetrachloroethane 13035.81
    2-methyl-cyclohexyl acetate 2151.83
    tetrabutyl urea 1190.67
    diisobutyl methanol 1812.28
    2-phenylethanol 2254.42
    styrene 3019.41
    dioctyl adipate 1494.19
    dimethyl sulfate 1616.06
    ethyl butyrate 5058.45
    methyl lactate 1442.82
    butyl lactate 2004.27
    diethyl carbonate 2229.88
    propanediol butyl ether 1777.71
    triethyl orthoformate 2363.06
    p-tert-butyltoluene 1013.41
    methyl 4-tert-butylbenzoate 1523.78
    morpholine 13704.75
    tert-butylamine 7301.01
    n-dodecanol 633.89
    dimethoxymethane 6414.47
    ethylene carbonate 3780.25
    cyrene 1099.78
    2-ethoxyethyl acetate 3995.98
    2-ethylhexyl acetate 5110.09
    1,2,4-trichlorobenzene 3714.24
    4-methylpyridine 10468.15
    dibutyl ether 4708.45
    2,6-dimethyl-4-heptanol 1812.28
    DEF 10041.69
    dimethyl isosorbide 2639.6
    tetrachloroethylene 8166.97
    eugenol 1381.26
    triacetin 2207.44
    span 80 1692.04
    1,4-butanediol 866.5
    1,1-dichloroethane 15803.33
    2-methyl-1-pentanol 3552.4
    methyl formate 2543.22
    2-methyl-1-butanol 6148.42
    n-decane 378.7
    butyronitrile 11534.7
    3,7-dimethyl-1-octanol 1772.74
    1-chlorooctane 1619.22
    1-chlorotetradecane 473.24
    n-nonane 449.32
    undecane 242.2
    tert-butylcyclohexane 774.13
    cyclooctane 1014.92
    cyclopentanol 5691.47
    tetrahydropyran 18372.39
    tert-amyl methyl ether 6199.14
    2,5,8-trioxanonane 2727.47
    1-hexene 7682.31
    2-isopropoxyethanol 2764.04
    2,2,2-trifluoroethanol 725.66
    methyl butyrate 7727.46

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Pear (Japan), Asian Pyrus serotina Rehder (Asian pear), cultivar Chojui, fam. Rosaceae 31.97%