4-Octenoic acid, (4E)-

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  • Identifiers

    CAS number
    18776-92-6

    Molecular formula
    C8H14O2

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

  • Odor profile

    Fragrance
    Green 86.12%
    Fatty 83.9%
    Fruity 83.7%
    Waxy 69.28%
    Dairy 64.5%
    Oily 49.69%
    Cheesy 49.11%
    Melon 44.39%
    Milky 38.39%
    Buttery 34.77%

     

    Flavor
    Fatty 58.52%
    Oily 37.22%
    Waxy 32.16%
    Green 30.56%
    Cheese 29.66%
    Rancid 25.06%
    Fruity 24.99%
    Cheesy 23.16%
    Sour 22.48%
    Dairy 22.17%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.28 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 4 °C

    Boiling point

    • 105.00 to 106.00 °C. @ 5.00 mm Hg

    Flash point

    • 114.92 ˚C est.

    Solubility expt.

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

  • Synonyms

    • (E)-4-Octenoic acid
    • 4-OCTENOIC ACID
    • (E)-oct-4-enoic acid
    • 18776-92-6
    • 4-Octenoic acid, (4E)-
    • 4-Octenoic acid, (E)-
    • 18294-89-8
    • FEMA No. 4357
    • trans-4-Octenoic acid [FHFI]
    • 47P9XAP96K
    • (4E)-4-Octenoic acid
    • UNII-47P9XAP96K
    • (4E)-oct-4-enoic acid
    • 4-OCTENOIC ACID, TRANS-
    • DTXSID10172085
    • (E)-4-Octenoic acid(trans-4-octenoic acid)
    • SCHEMBL586010
    • TRANS-4-OCTENOIC ACID
    • DTXCID0094576
    • CHEBI:180287
    • PFHBCQFBHMBAMC-SNAWJCMRSA-N
    • LMFA01030951
    • AKOS006376251
    • Q27259064

  • Applications

    Chemical name: 4-Octenoic acid, (4E)-; CAS number: 18776-92-6. It serves as a chemical intermediate and building block in fragrance and flavor chemistry, enabling the synthesis of ester derivatives used in perfumery and flavor applications. It is also used as a feedstock for fatty-acid-derived polymers and as a source for plasticizers and lubricant esters. In addition, the compound can be converted into ester derivatives for coatings and inks, and may be used as a precursor in cosmetics formulations as a fragrance component or ester intermediate. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1287.66
    methanol 1671.26
    isopropanol 782.71
    water 1.37
    ethyl acetate 381.18
    n-propanol 748.68
    acetone 1092.62
    n-butanol 673.63
    acetonitrile 217.22
    DMF 1918.92
    toluene 71.83
    isobutanol 569.29
    1,4-dioxane 479.1
    methyl acetate 261.15
    THF 1308.24
    2-butanone 491.76
    n-pentanol 522.97
    sec-butanol 528.86
    n-hexane 110.77
    ethylene glycol 343.78
    NMP 1158.7
    cyclohexane 31.86
    DMSO 2515.32
    n-butyl acetate 397.11
    n-octanol 213.75
    chloroform 206.83
    n-propyl acetate 309.3
    acetic acid 702.41
    dichloromethane 201.71
    cyclohexanone 669.65
    propylene glycol 508.41
    isopropyl acetate 297.04
    DMAc 840.08
    2-ethoxyethanol 612.62
    isopentanol 616.08
    n-heptane 31.41
    ethyl formate 205.23
    1,2-dichloroethane 230.38
    n-hexanol 542.9
    2-methoxyethanol 1045.2
    isobutyl acetate 218.09
    tetrachloromethane 49.49
    n-pentyl acetate 215.17
    transcutol 1968.99
    n-heptanol 204.81
    ethylbenzene 71.88
    MIBK 369.97
    2-propoxyethanol 707.75
    tert-butanol 1058.03
    MTBE 500.66
    2-butoxyethanol 365.91
    propionic acid 509.12
    o-xylene 79.22
    formic acid 282.94
    diethyl ether 296.46
    m-xylene 108.76
    p-xylene 89.4
    chlorobenzene 106.37
    dimethyl carbonate 126.66
    n-octane 12.57
    formamide 351.6
    cyclopentanone 1044.11
    2-pentanone 588.13
    anisole 201.33
    cyclopentyl methyl ether 604.57
    gamma-butyrolactone 932.07
    1-methoxy-2-propanol 921.01
    pyridine 255.21
    3-pentanone 271.13
    furfural 511.88
    n-dodecane 9.89
    diethylene glycol 541.31
    diisopropyl ether 138.22
    tert-amyl alcohol 710.48
    acetylacetone 558.96
    n-hexadecane 11.02
    acetophenone 195.6
    methyl propionate 343.37
    isopentyl acetate 379.08
    trichloroethylene 379.77
    n-nonanol 173.56
    cyclohexanol 457.0
    benzyl alcohol 210.55
    2-ethylhexanol 283.57
    isooctanol 179.27
    dipropyl ether 226.8
    1,2-dichlorobenzene 115.2
    ethyl lactate 169.83
    propylene carbonate 411.01
    n-methylformamide 687.56
    2-pentanol 455.06
    n-pentane 41.36
    1-propoxy-2-propanol 558.02
    1-methoxy-2-propyl acetate 386.55
    2-(2-methoxypropoxy) propanol 360.01
    mesitylene 85.74
    ε-caprolactone 507.71
    p-cymene 57.24
    epichlorohydrin 698.62
    1,1,1-trichloroethane 197.31
    2-aminoethanol 690.32
    morpholine-4-carbaldehyde 707.81
    sulfolane 1431.54
    2,2,4-trimethylpentane 32.9
    2-methyltetrahydrofuran 856.54
    n-hexyl acetate 346.95
    isooctane 35.44
    2-(2-butoxyethoxy)ethanol 548.32
    sec-butyl acetate 211.8
    tert-butyl acetate 418.14
    decalin 36.55
    glycerin 569.29
    diglyme 753.6
    acrylic acid 389.75
    isopropyl myristate 115.35
    n-butyric acid 702.49
    acetyl acetate 173.47
    di(2-ethylhexyl) phthalate 128.59
    ethyl propionate 241.42
    nitromethane 744.06
    1,2-diethoxyethane 398.96
    benzonitrile 185.62
    trioctyl phosphate 102.7
    1-bromopropane 144.42
    gamma-valerolactone 897.02
    n-decanol 127.65
    triethyl phosphate 101.46
    4-methyl-2-pentanol 285.55
    propionitrile 237.26
    vinylene carbonate 270.62
    1,1,2-trichlorotrifluoroethane 542.96
    DMS 192.54
    cumene 69.66
    2-octanol 147.28
    2-hexanone 424.07
    octyl acetate 155.73
    limonene 104.74
    1,2-dimethoxyethane 725.46
    ethyl orthosilicate 107.9
    tributyl phosphate 132.56
    diacetone alcohol 627.26
    N,N-dimethylaniline 170.09
    acrylonitrile 275.74
    aniline 191.03
    1,3-propanediol 685.17
    bromobenzene 94.39
    dibromomethane 155.97
    1,1,2,2-tetrachloroethane 381.39
    2-methyl-cyclohexyl acetate 201.2
    tetrabutyl urea 174.02
    diisobutyl methanol 156.57
    2-phenylethanol 227.18
    styrene 79.52
    dioctyl adipate 185.13
    dimethyl sulfate 290.44
    ethyl butyrate 210.69
    methyl lactate 273.75
    butyl lactate 238.36
    diethyl carbonate 120.99
    propanediol butyl ether 496.79
    triethyl orthoformate 156.8
    p-tert-butyltoluene 64.23
    methyl 4-tert-butylbenzoate 221.74
    morpholine 771.48
    tert-butylamine 604.71
    n-dodecanol 92.03
    dimethoxymethane 611.98
    ethylene carbonate 230.43
    cyrene 288.19
    2-ethoxyethyl acetate 279.89
    2-ethylhexyl acetate 263.16
    1,2,4-trichlorobenzene 150.41
    4-methylpyridine 322.47
    dibutyl ether 199.47
    2,6-dimethyl-4-heptanol 156.57
    DEF 569.68
    dimethyl isosorbide 514.88
    tetrachloroethylene 243.87
    eugenol 239.07
    triacetin 262.87
    span 80 347.89
    1,4-butanediol 332.03
    1,1-dichloroethane 206.75
    2-methyl-1-pentanol 461.2
    methyl formate 328.08
    2-methyl-1-butanol 516.53
    n-decane 17.17
    butyronitrile 325.72
    3,7-dimethyl-1-octanol 221.42
    1-chlorooctane 85.77
    1-chlorotetradecane 31.06
    n-nonane 17.69
    undecane 12.59
    tert-butylcyclohexane 50.63
    cyclooctane 14.94
    cyclopentanol 650.17
    tetrahydropyran 538.16
    tert-amyl methyl ether 353.41
    2,5,8-trioxanonane 515.49
    1-hexene 290.19
    2-isopropoxyethanol 457.05
    2,2,2-trifluoroethanol 160.44
    methyl butyrate 339.16

    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