4-Ethyl-3-octen

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  • Identifiers

    CAS number
    53966-51-1

    Molecular formula
    C10H20

    SMILES
    CCCCC(=CCC)CC

    Safety labels

  • Odor profile

    Fragrance
    Gassy 48.08%
    Citrus 35.91%
    Herbal 33.27%
    Sweet 33.07%
    Fresh 31.36%
    Waxy 24.15%
    Oily 22.37%
    Green 22.3%
    Lemon 21.7%
    Fruity 21.47%

     

    Flavor
    Citrus 33.82%
    Alkane 32.98%
    Fresh 28.23%
    Gasoline 24.55%
    Waxy 23.96%
    Delicate 22.05%
    Low 21.46%
    Opoponax 21.36%
    Diterpene 21.27%
    Coumarinic 20.64%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    10.77 (weak base)

    Molecular weight
    140.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    154°C

    Flash point

    • 44.23 ˚C est.

  • Synonyms

    • 4-ETHYL-3-OCTEN
    • 53966-51-1
    • DTXSID70334647
    • RefChem:1070651
    • DTXCID80285737
    • 4-ethyl-3-octene
    • 4-ethyloct-3-ene
    • SCHEMBL782772
    • SCHEMBL2007250
    • SCHEMBL7181758
    • SCHEMBL16287777
    • SCHEMBL16288321
    • NOBLDEYGTBPLMF-UHFFFAOYSA-N
    • DB-367776
    • 53966-51-1

  • Applications

    4-Ethyl-3-octen (CAS 53966-51-1) is a branched C10 alkene primarily used as an intermediate in fragrance chemistry and as a building block for specialty odorants; it may also function as a processing aid or solvent in industrial formulations and can be considered for use in cosmetics/personal care and household products as a fragrance component; as a chemical feedstock it can participate in polymer/plastics synthesis and related coatings/inks applications, subject to formulation limits and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3014.41
    methanol 1279.32
    isopropanol 3931.54
    water 0.02
    ethyl acetate 5566.71
    n-propanol 3680.81
    acetone 5640.93
    n-butanol 5288.9
    acetonitrile 3251.62
    DMF 2358.01
    toluene 5531.09
    isobutanol 3406.74
    1,4-dioxane 8479.6
    methyl acetate 3246.93
    THF 14000.85
    2-butanone 5641.98
    n-pentanol 3522.04
    sec-butanol 4918.52
    n-hexane 11581.19
    ethylene glycol 123.78
    NMP 2363.36
    cyclohexane 14918.47
    DMSO 2947.65
    n-butyl acetate 15291.24
    n-octanol 3315.41
    chloroform 9264.84
    n-propyl acetate 4471.12
    acetic acid 1052.25
    dichloromethane 8634.64
    cyclohexanone 8996.72
    propylene glycol 320.25
    isopropyl acetate 3914.67
    DMAc 1818.46
    2-ethoxyethanol 1748.46
    isopentanol 5099.43
    n-heptane 16983.13
    ethyl formate 1916.27
    1,2-dichloroethane 6658.4
    n-hexanol 9931.44
    2-methoxyethanol 2353.32
    isobutyl acetate 2790.28
    tetrachloromethane 3079.27
    n-pentyl acetate 4682.02
    transcutol 6783.69
    n-heptanol 3219.78
    ethylbenzene 2803.71
    MIBK 3639.86
    2-propoxyethanol 5059.86
    tert-butanol 6157.56
    MTBE 11130.77
    2-butoxyethanol 2553.8
    propionic acid 1387.15
    o-xylene 2300.52
    formic acid 70.15
    diethyl ether 14986.85
    m-xylene 2844.45
    p-xylene 2807.24
    chlorobenzene 3820.79
    dimethyl carbonate 496.83
    n-octane 3216.4
    formamide 147.56
    cyclopentanone 6558.32
    2-pentanone 6271.26
    anisole 2746.92
    cyclopentyl methyl ether 8632.32
    gamma-butyrolactone 3961.82
    1-methoxy-2-propanol 2359.21
    pyridine 7121.33
    3-pentanone 4192.77
    furfural 2204.13
    n-dodecane 1177.71
    diethylene glycol 1077.47
    diisopropyl ether 5092.21
    tert-amyl alcohol 5841.44
    acetylacetone 3028.87
    n-hexadecane 1409.72
    acetophenone 1608.73
    methyl propionate 2536.24
    isopentyl acetate 10231.84
    trichloroethylene 7495.95
    n-nonanol 2863.56
    cyclohexanol 6232.82
    benzyl alcohol 1234.84
    2-ethylhexanol 9471.45
    isooctanol 2877.1
    dipropyl ether 19835.32
    1,2-dichlorobenzene 2763.56
    ethyl lactate 636.88
    propylene carbonate 2391.79
    n-methylformamide 790.77
    2-pentanol 5329.38
    n-pentane 7924.89
    1-propoxy-2-propanol 6162.13
    1-methoxy-2-propyl acetate 3902.42
    2-(2-methoxypropoxy) propanol 1563.97
    mesitylene 1960.38
    ε-caprolactone 5559.14
    p-cymene 3331.82
    epichlorohydrin 5842.88
    1,1,1-trichloroethane 8531.61
    2-aminoethanol 438.91
    morpholine-4-carbaldehyde 2413.95
    sulfolane 3586.67
    2,2,4-trimethylpentane 2072.43
    2-methyltetrahydrofuran 15141.51
    n-hexyl acetate 5398.87
    isooctane 1960.9
    2-(2-butoxyethoxy)ethanol 2397.45
    sec-butyl acetate 2987.03
    tert-butyl acetate 4308.24
    decalin 2974.83
    glycerin 286.04
    diglyme 4822.99
    acrylic acid 676.14
    isopropyl myristate 2083.31
    n-butyric acid 3910.73
    acetyl acetate 1910.34
    di(2-ethylhexyl) phthalate 1021.09
    ethyl propionate 3235.04
    nitromethane 1576.97
    1,2-diethoxyethane 9910.3
    benzonitrile 2705.7
    trioctyl phosphate 1007.97
    1-bromopropane 12535.98
    gamma-valerolactone 4759.98
    n-decanol 2034.27
    triethyl phosphate 1466.08
    4-methyl-2-pentanol 2724.39
    propionitrile 4477.56
    vinylene carbonate 1581.81
    1,1,2-trichlorotrifluoroethane 1987.86
    DMS 1253.96
    cumene 1619.12
    2-octanol 2758.4
    2-hexanone 5701.38
    octyl acetate 2241.59
    limonene 7319.54
    1,2-dimethoxyethane 6140.32
    ethyl orthosilicate 1846.21
    tributyl phosphate 1286.34
    diacetone alcohol 2366.82
    N,N-dimethylaniline 1684.22
    acrylonitrile 2640.64
    aniline 2680.43
    1,3-propanediol 1006.43
    bromobenzene 5180.59
    dibromomethane 9123.7
    1,1,2,2-tetrachloroethane 6797.82
    2-methyl-cyclohexyl acetate 3436.58
    tetrabutyl urea 1659.63
    diisobutyl methanol 4534.99
    2-phenylethanol 2513.89
    styrene 3450.29
    dioctyl adipate 1974.89
    dimethyl sulfate 570.68
    ethyl butyrate 7908.72
    methyl lactate 466.8
    butyl lactate 1618.06
    diethyl carbonate 3057.55
    propanediol butyl ether 1288.98
    triethyl orthoformate 4675.79
    p-tert-butyltoluene 3091.89
    methyl 4-tert-butylbenzoate 1536.75
    morpholine 9531.03
    tert-butylamine 6910.75
    n-dodecanol 1569.27
    dimethoxymethane 2497.16
    ethylene carbonate 1907.16
    cyrene 825.77
    2-ethoxyethyl acetate 3090.96
    2-ethylhexyl acetate 9387.54
    1,2,4-trichlorobenzene 2630.79
    4-methylpyridine 7066.23
    dibutyl ether 11742.78
    2,6-dimethyl-4-heptanol 4534.99
    DEF 4465.49
    dimethyl isosorbide 2655.52
    tetrachloroethylene 4336.89
    eugenol 1112.58
    triacetin 1650.58
    span 80 2031.36
    1,4-butanediol 375.24
    1,1-dichloroethane 8267.07
    2-methyl-1-pentanol 3401.16
    methyl formate 576.17
    2-methyl-1-butanol 4451.36
    n-decane 2661.98
    butyronitrile 7601.88
    3,7-dimethyl-1-octanol 3814.15
    1-chlorooctane 4792.29
    1-chlorotetradecane 1569.08
    n-nonane 3485.64
    undecane 1666.58
    tert-butylcyclohexane 2652.47
    cyclooctane 5157.9
    cyclopentanol 4302.6
    tetrahydropyran 20199.91
    tert-amyl methyl ether 6984.61
    2,5,8-trioxanonane 2507.54
    1-hexene 16078.68
    2-isopropoxyethanol 1721.9
    2,2,2-trifluoroethanol 165.34
    methyl butyrate 4469.65

    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