Ethyl 4-octenoate, (4E)-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    78989-37-4

    Molecular formula
    C10H18O2

    SMILES
    CCC/C=C/CCC(=O)OCC

    Retention indicies (RI)

    • DB5: 1184.0

  • Odor profile

    Fruity 91.68%
    Green 83.55%
    Pear 66.15%
    Waxy 63.95%
    Tropical 61.25%
    Fatty 60.91%
    Pineapple 57.85%
    Apple 53.16%
    Melon 50.42%
    Winey 41.27%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 105.00 °C. @ 11.00 mm Hg

    Flash point est.
    83.06 ˚C

  • Synonyms

    • Ethyl trans-4-octenoate
    • 78989-37-4
    • Ethyl (E)-oct-4-enoate
    • ethyl 4Z-octenoate
    • 4-Octenoic acid, ethyl ester, (4E)-
    • Ethyl 4-octenoate, (4E)-
    • ethyl (E)-4-octenoate
    • 4-Octenoic acid, ethyl ether
    • 520VPR9S7Q
    • EINECS 279-035-0
    • 4-Octenoic acid, ethyl ester, (E)-
    • ethyl (4E)-oct-4-enoate
    • DTXSID70888554
    • ETHYL 4-OCTENOATE, (E)-
    • ( Z)-Ethyl 4-octenoate
    • UNII-520VPR9S7Q
    • MFCD00015573
    • (Z)-Ethyl 4-octenoate
    • (4E)-ethyl 4-octenoate
    • Ethyl (4E)-4-octenoate
    • Ethyl (4E)-4-octenoate #
    • SCHEMBL710343
    • CHEBI:87575
    • Ethyl ester(Z)-4-Octenoic acid
    • FEMA 3344
    • DTXCID50909872
    • CHEBI:180212
    • Ethyl ester(4Z)-4-Octenoic acid
    • LMFA07010872
    • DB-319548
    • NS00091132
    • E70248
    • Q27260939

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3567.78
    methanol 3938.21
    isopropanol 2741.85
    water 0.27
    ethyl acetate 3098.27
    n-propanol 2517.19
    acetone 5957.54
    n-butanol 2411.72
    acetonitrile 3626.75
    DMF 5000.52
    toluene 1410.98
    isobutanol 1932.13
    1,4-dioxane 3420.91
    methyl acetate 2412.43
    THF 4889.02
    2-butanone 3540.59
    n-pentanol 1716.98
    sec-butanol 2365.03
    n-hexane 916.74
    ethylene glycol 397.73
    NMP 3942.36
    cyclohexane 832.07
    DMSO 6620.9
    n-butyl acetate 2309.52
    n-octanol 716.98
    chloroform 5646.79
    n-propyl acetate 1829.19
    acetic acid 2907.5
    dichloromethane 5856.53
    cyclohexanone 4569.14
    propylene glycol 646.71
    isopropyl acetate 1786.64
    DMAc 3036.1
    2-ethoxyethanol 1685.49
    isopentanol 2020.21
    n-heptane 254.2
    ethyl formate 1330.4
    1,2-dichloroethane 3943.06
    n-hexanol 1635.02
    2-methoxyethanol 2742.46
    isobutyl acetate 1023.63
    tetrachloromethane 842.32
    n-pentyl acetate 1217.54
    transcutol 6405.75
    n-heptanol 529.21
    ethylbenzene 770.38
    MIBK 1495.55
    2-propoxyethanol 2023.02
    tert-butanol 3169.11
    MTBE 3139.36
    2-butoxyethanol 908.87
    propionic acid 1990.3
    o-xylene 722.12
    formic acid 578.53
    diethyl ether 3886.27
    m-xylene 891.1
    p-xylene 883.39
    chlorobenzene 1830.08
    dimethyl carbonate 660.43
    n-octane 94.84
    formamide 931.25
    cyclopentanone 4325.85
    2-pentanone 3258.43
    anisole 1289.4
    cyclopentyl methyl ether 2916.19
    gamma-butyrolactone 3828.09
    1-methoxy-2-propanol 2272.23
    pyridine 3450.78
    3-pentanone 2124.79
    furfural 2484.94
    n-dodecane 69.96
    diethylene glycol 1157.74
    diisopropyl ether 866.81
    tert-amyl alcohol 2525.73
    acetylacetone 2691.06
    n-hexadecane 82.08
    acetophenone 1150.37
    methyl propionate 2021.98
    isopentyl acetate 1781.46
    trichloroethylene 6058.69
    n-nonanol 599.81
    cyclohexanol 2425.02
    benzyl alcohol 1010.65
    2-ethylhexanol 979.0
    isooctanol 465.07
    dipropyl ether 1284.95
    1,2-dichlorobenzene 1463.53
    ethyl lactate 557.18
    propylene carbonate 1842.93
    n-methylformamide 2005.21
    2-pentanol 1825.56
    n-pentane 512.2
    1-propoxy-2-propanol 1629.75
    1-methoxy-2-propyl acetate 1514.36
    2-(2-methoxypropoxy) propanol 1086.72
    mesitylene 558.6
    ε-caprolactone 3021.93
    p-cymene 371.9
    epichlorohydrin 4183.18
    1,1,1-trichloroethane 3441.21
    2-aminoethanol 1013.71
    morpholine-4-carbaldehyde 2771.51
    sulfolane 4984.27
    2,2,4-trimethylpentane 210.24
    2-methyltetrahydrofuran 4445.18
    n-hexyl acetate 1712.67
    isooctane 162.07
    2-(2-butoxyethoxy)ethanol 1516.76
    sec-butyl acetate 1156.6
    tert-butyl acetate 1813.92
    decalin 352.52
    glycerin 768.71
    diglyme 2516.68
    acrylic acid 1500.8
    isopropyl myristate 562.76
    n-butyric acid 2985.56
    acetyl acetate 1419.49
    di(2-ethylhexyl) phthalate 488.18
    ethyl propionate 1497.65
    nitromethane 4318.77
    1,2-diethoxyethane 2410.73
    benzonitrile 1534.6
    trioctyl phosphate 350.67
    1-bromopropane 3122.84
    gamma-valerolactone 3854.33
    n-decanol 411.01
    triethyl phosphate 481.35
    4-methyl-2-pentanol 805.78
    propionitrile 2369.25
    vinylene carbonate 1575.7
    1,1,2-trichlorotrifluoroethane 2547.11
    DMS 1113.55
    cumene 448.35
    2-octanol 465.47
    2-hexanone 2118.28
    octyl acetate 722.25
    limonene 687.79
    1,2-dimethoxyethane 3021.77
    ethyl orthosilicate 498.43
    tributyl phosphate 534.7
    diacetone alcohol 1647.23
    N,N-dimethylaniline 858.1
    acrylonitrile 2602.82
    aniline 1656.82
    1,3-propanediol 1397.7
    bromobenzene 2189.37
    dibromomethane 4390.63
    1,1,2,2-tetrachloroethane 5170.69
    2-methyl-cyclohexyl acetate 919.71
    tetrabutyl urea 704.19
    diisobutyl methanol 475.91
    2-phenylethanol 915.03
    styrene 1113.63
    dioctyl adipate 832.92
    dimethyl sulfate 1185.01
    ethyl butyrate 1224.08
    methyl lactate 758.32
    butyl lactate 852.94
    diethyl carbonate 746.54
    propanediol butyl ether 1123.07
    triethyl orthoformate 745.83
    p-tert-butyltoluene 360.72
    methyl 4-tert-butylbenzoate 834.34
    morpholine 4581.53
    tert-butylamine 2179.18
    n-dodecanol 302.18
    dimethoxymethane 2257.9
    ethylene carbonate 1344.55
    cyrene 859.03
    2-ethoxyethyl acetate 1453.63
    2-ethylhexyl acetate 1345.22
    1,2,4-trichlorobenzene 1606.04
    4-methylpyridine 3530.37
    dibutyl ether 1388.25
    2,6-dimethyl-4-heptanol 475.91
    DEF 3143.63
    dimethyl isosorbide 1585.65
    tetrachloroethylene 2956.56
    eugenol 847.81
    triacetin 1281.9
    span 80 1005.15
    1,4-butanediol 594.32
    1,1-dichloroethane 4252.56
    2-methyl-1-pentanol 1507.35
    methyl formate 1251.0
    2-methyl-1-butanol 1952.1
    n-decane 127.93
    butyronitrile 2821.94
    3,7-dimethyl-1-octanol 760.68
    1-chlorooctane 619.28
    1-chlorotetradecane 209.16
    n-nonane 136.23
    undecane 90.78
    tert-butylcyclohexane 308.35
    cyclooctane 217.14
    cyclopentanol 2294.87
    tetrahydropyran 5135.27
    tert-amyl methyl ether 2002.3
    2,5,8-trioxanonane 1659.94
    1-hexene 2333.04
    2-isopropoxyethanol 1262.09
    2,2,2-trifluoroethanol 614.43
    methyl butyrate 2179.21

    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 0.9%