Ethyl oct-3-enoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1117-65-3

    Molecular formula
    C10H18O2

    SMILES
    CCCCC=CCC(=O)OCC

    Retention indicies (RI)

    • DB5: 1196.0

  • Odor profile

    Fruity 91.2%
    Green 83.53%
    Pear 67.36%
    Tropical 63.36%
    Waxy 62.62%
    Pineapple 59.28%
    Fatty 56.8%
    Apple 54.86%
    Melon 53.21%
    Fresh 38.46%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    209°C

    Flash point est.
    82.84 ˚C

    Solubility expt.

    • Insoluble in water; soluble in most organic solvents
    • Soluble (in ethanol)

  • Synonyms

    • Ethyl oct-3-enoate
    • Ethyl 3-octenoate
    • 1117-65-3
    • 3-Octenoic acid, ethyl ester
    • FEMA No. 4361
    • UNII-4V58V0404F
    • DTXSID60912251
    • 4V58V0404F
    • ETHYL (Z)-3-OCTENOATE
    • Ethyl 3-octenoic acid
    • Ethyl oct-3-enoic acid
    • BCMYNNIPTQUKAC-UHFFFAOYSA-N
    • CHEBI:180221
    • DTXCID301341274
    • 601-118-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3965.04
    methanol 4465.32
    isopropanol 2868.65
    water 0.2
    ethyl acetate 2653.54
    n-propanol 2633.08
    acetone 5476.82
    n-butanol 2365.34
    acetonitrile 2902.98
    DMF 4680.83
    toluene 1149.72
    isobutanol 1863.39
    1,4-dioxane 3127.88
    methyl acetate 1997.57
    THF 4489.23
    2-butanone 3029.6
    n-pentanol 1642.41
    sec-butanol 2279.22
    n-hexane 637.01
    ethylene glycol 440.72
    NMP 3222.13
    cyclohexane 665.26
    DMSO 6030.72
    n-butyl acetate 1886.05
    n-octanol 538.81
    chloroform 4698.93
    n-propyl acetate 1419.56
    acetic acid 2729.54
    dichloromethane 4548.75
    cyclohexanone 3880.12
    propylene glycol 754.64
    isopropyl acetate 1448.02
    DMAc 2465.0
    2-ethoxyethanol 1527.67
    isopentanol 1838.64
    n-heptane 177.13
    ethyl formate 1146.25
    1,2-dichloroethane 3375.39
    n-hexanol 1559.48
    2-methoxyethanol 2789.64
    isobutyl acetate 779.64
    tetrachloromethane 640.45
    n-pentyl acetate 892.47
    transcutol 5511.44
    n-heptanol 432.24
    ethylbenzene 554.97
    MIBK 1196.45
    2-propoxyethanol 1896.62
    tert-butanol 3079.48
    MTBE 2680.18
    2-butoxyethanol 780.77
    propionic acid 1750.33
    o-xylene 561.61
    formic acid 546.63
    diethyl ether 3175.27
    m-xylene 697.79
    p-xylene 637.99
    chlorobenzene 1401.74
    dimethyl carbonate 529.92
    n-octane 62.21
    formamide 852.6
    cyclopentanone 3570.73
    2-pentanone 2688.92
    anisole 992.82
    cyclopentyl methyl ether 2483.96
    gamma-butyrolactone 3144.14
    1-methoxy-2-propanol 2193.0
    pyridine 2987.52
    3-pentanone 1641.91
    furfural 2090.03
    n-dodecane 45.91
    diethylene glycol 1142.31
    diisopropyl ether 668.43
    tert-amyl alcohol 2295.42
    acetylacetone 2285.26
    n-hexadecane 54.72
    acetophenone 872.47
    methyl propionate 1727.47
    isopentyl acetate 1447.09
    trichloroethylene 5146.0
    n-nonanol 456.41
    cyclohexanol 2289.8
    benzyl alcohol 849.46
    2-ethylhexanol 828.07
    isooctanol 370.21
    dipropyl ether 1004.97
    1,2-dichlorobenzene 1107.55
    ethyl lactate 466.82
    propylene carbonate 1493.21
    n-methylformamide 1840.84
    2-pentanol 1646.49
    n-pentane 381.61
    1-propoxy-2-propanol 1433.7
    1-methoxy-2-propyl acetate 1314.11
    2-(2-methoxypropoxy) propanol 913.25
    mesitylene 423.23
    ε-caprolactone 2483.86
    p-cymene 280.39
    epichlorohydrin 3564.11
    1,1,1-trichloroethane 2823.41
    2-aminoethanol 1084.9
    morpholine-4-carbaldehyde 2328.86
    sulfolane 4065.95
    2,2,4-trimethylpentane 144.71
    2-methyltetrahydrofuran 3812.89
    n-hexyl acetate 1260.93
    isooctane 116.05
    2-(2-butoxyethoxy)ethanol 1316.26
    sec-butyl acetate 876.43
    tert-butyl acetate 1457.01
    decalin 257.98
    glycerin 810.81
    diglyme 2185.46
    acrylic acid 1310.27
    isopropyl myristate 421.51
    n-butyric acid 2643.4
    acetyl acetate 1189.27
    di(2-ethylhexyl) phthalate 383.88
    ethyl propionate 1144.05
    nitromethane 3732.77
    1,2-diethoxyethane 1905.13
    benzonitrile 1195.55
    trioctyl phosphate 269.58
    1-bromopropane 2438.37
    gamma-valerolactone 3310.96
    n-decanol 317.79
    triethyl phosphate 367.94
    4-methyl-2-pentanol 700.37
    propionitrile 1881.83
    vinylene carbonate 1279.36
    1,1,2-trichlorotrifluoroethane 2328.86
    DMS 857.99
    cumene 326.14
    2-octanol 358.54
    2-hexanone 1683.89
    octyl acetate 546.58
    limonene 545.49
    1,2-dimethoxyethane 2654.29
    ethyl orthosilicate 377.02
    tributyl phosphate 402.8
    diacetone alcohol 1450.33
    N,N-dimethylaniline 632.82
    acrylonitrile 2043.23
    aniline 1496.27
    1,3-propanediol 1481.49
    bromobenzene 1608.48
    dibromomethane 3439.61
    1,1,2,2-tetrachloroethane 4379.46
    2-methyl-cyclohexyl acetate 714.15
    tetrabutyl urea 523.39
    diisobutyl methanol 393.36
    2-phenylethanol 821.68
    styrene 824.86
    dioctyl adipate 644.79
    dimethyl sulfate 908.81
    ethyl butyrate 975.6
    methyl lactate 700.66
    butyl lactate 659.72
    diethyl carbonate 579.07
    propanediol butyl ether 964.82
    triethyl orthoformate 574.02
    p-tert-butyltoluene 275.54
    methyl 4-tert-butylbenzoate 648.32
    morpholine 4410.73
    tert-butylamine 1974.49
    n-dodecanol 235.91
    dimethoxymethane 2089.71
    ethylene carbonate 1091.93
    cyrene 701.92
    2-ethoxyethyl acetate 1149.57
    2-ethylhexyl acetate 1061.46
    1,2,4-trichlorobenzene 1278.1
    4-methylpyridine 2842.37
    dibutyl ether 980.78
    2,6-dimethyl-4-heptanol 393.36
    DEF 2567.15
    dimethyl isosorbide 1324.45
    tetrachloroethylene 2484.52
    eugenol 675.33
    triacetin 997.31
    span 80 875.45
    1,4-butanediol 597.34
    1,1-dichloroethane 3451.88
    2-methyl-1-pentanol 1332.39
    methyl formate 1092.66
    2-methyl-1-butanol 1749.62
    n-decane 85.34
    butyronitrile 2326.9
    3,7-dimethyl-1-octanol 590.12
    1-chlorooctane 439.21
    1-chlorotetradecane 151.3
    n-nonane 90.34
    undecane 60.04
    tert-butylcyclohexane 218.18
    cyclooctane 160.36
    cyclopentanol 2107.71
    tetrahydropyran 4636.08
    tert-amyl methyl ether 1591.45
    2,5,8-trioxanonane 1453.58
    1-hexene 1834.04
    2-isopropoxyethanol 1092.79
    2,2,2-trifluoroethanol 511.3
    methyl butyrate 1640.09

    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
Astrocarium vulgare fruit Astrocarium vulgare Mart., fam. Arecaceae 0.6%