4-Octenal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    78693-35-3

    Molecular formula
    C8H14O

    SMILES
    CCC/C=C/CCC=O

    Safety labels

  • Odor profile

    Fragrance
    Green 81.52%
    Fatty 71.13%
    Fruity 60.44%
    Melon 57.67%
    Fresh 54.6%
    Cucumber 52.68%
    Aldehydic 51.79%
    Citrus 51.43%
    Waxy 44.83%
    Vegetable 43.61%

     

    Flavor
    Green 67.01%
    Fatty 65.72%
    Cucumber 51.04%
    Melon 47.96%
    Waxy 40.6%
    Fresh 38.67%
    Citrus 38.66%
    Aldehydic 37.61%
    Vegetable 34.68%
    Fat 33.41%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.57 (neutral)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    176°C

    Flash point

    • 63.83 ˚C est.

  • Synonyms

    • 4-octenal
    • (E)-oct-4-enal
    • trans-4-Octenal
    • 4E-Octenal
    • 4-Octenal, (E)-
    • 4-Octenal, (4E)-
    • ZDU9C6F6UC
    • 78693-35-3
    • UNII-ZDU9C6F6UC
    • oct-4-enal
    • LMFA06000031
    • (4E)-4-octenal
    • SCHEMBL515219
    • SCHEMBL2163504
    • CHEBI:195679
    • EN300-1853250
    • Q27295376
    • 78693-35-3

  • Applications

    4-Octenal (CAS 78693-35-3) is used primarily as an aroma chemical and synthetic intermediate. In perfumery, it provides green, fresh odor notes and can serve as a starting point for the synthesis of more complex fragrance compounds. In the flavor sector, it may be evaluated as an aroma intermediate to impart green or fruity character. In cosmetics and personal care, it is used as a fragrance ingredient within formulation limits. In industrial manufacturing, it functions as a flexible aldehyde intermediate for subsequent syntheses of aroma compounds or specialty chemicals, subject to formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4189.04
    methanol 4199.98
    isopropanol 3177.26
    water 0.2
    ethyl acetate 2942.5
    n-propanol 3080.27
    acetone 5732.64
    n-butanol 2963.57
    acetonitrile 2564.13
    DMF 3044.88
    toluene 1057.61
    isobutanol 2054.83
    1,4-dioxane 2779.77
    methyl acetate 2035.48
    THF 5053.26
    2-butanone 3360.17
    n-pentanol 1748.81
    sec-butanol 2273.65
    n-hexane 1168.0
    ethylene glycol 385.05
    NMP 2318.96
    cyclohexane 976.53
    DMSO 5152.36
    n-butyl acetate 2679.49
    n-octanol 685.6
    chloroform 3976.36
    n-propyl acetate 1947.48
    acetic acid 1947.21
    dichloromethane 4536.83
    cyclohexanone 3881.45
    propylene glycol 652.76
    isopropyl acetate 1478.65
    DMAc 1292.69
    2-ethoxyethanol 1430.89
    isopentanol 2110.91
    n-heptane 517.32
    ethyl formate 1241.15
    1,2-dichloroethane 3234.25
    n-hexanol 2182.61
    2-methoxyethanol 2682.28
    isobutyl acetate 970.52
    tetrachloromethane 893.28
    n-pentyl acetate 1054.48
    transcutol 5298.33
    n-heptanol 606.92
    ethylbenzene 562.56
    MIBK 1307.08
    2-propoxyethanol 2213.03
    tert-butanol 3025.53
    MTBE 2525.22
    2-butoxyethanol 964.39
    propionic acid 1859.19
    o-xylene 503.52
    formic acid 343.03
    diethyl ether 3541.83
    m-xylene 675.82
    p-xylene 645.99
    chlorobenzene 1349.87
    dimethyl carbonate 400.58
    n-octane 143.29
    formamide 573.88
    cyclopentanone 4111.31
    2-pentanone 3113.92
    anisole 896.58
    cyclopentyl methyl ether 2809.8
    gamma-butyrolactone 3346.43
    1-methoxy-2-propanol 2077.58
    pyridine 2801.38
    3-pentanone 1798.61
    furfural 1953.76
    n-dodecane 73.35
    diethylene glycol 1073.26
    diisopropyl ether 820.24
    tert-amyl alcohol 2083.23
    acetylacetone 2024.99
    n-hexadecane 84.72
    acetophenone 775.5
    methyl propionate 1833.99
    isopentyl acetate 1830.4
    trichloroethylene 4710.24
    n-nonanol 535.34
    cyclohexanol 2230.98
    benzyl alcohol 738.35
    2-ethylhexanol 1248.0
    isooctanol 505.76
    dipropyl ether 1894.32
    1,2-dichlorobenzene 1007.09
    ethyl lactate 460.15
    propylene carbonate 1520.33
    n-methylformamide 1628.24
    2-pentanol 1971.98
    n-pentane 743.77
    1-propoxy-2-propanol 1892.79
    1-methoxy-2-propyl acetate 1359.51
    2-(2-methoxypropoxy) propanol 767.53
    mesitylene 402.68
    ε-caprolactone 2481.99
    p-cymene 348.51
    epichlorohydrin 3282.09
    1,1,1-trichloroethane 2767.4
    2-aminoethanol 956.23
    morpholine-4-carbaldehyde 1765.38
    sulfolane 3634.9
    2,2,4-trimethylpentane 198.52
    2-methyltetrahydrofuran 4430.76
    n-hexyl acetate 1347.7
    isooctane 182.69
    2-(2-butoxyethoxy)ethanol 1166.46
    sec-butyl acetate 1019.83
    tert-butyl acetate 1381.31
    decalin 302.5
    glycerin 631.73
    diglyme 2049.74
    acrylic acid 1179.94
    isopropyl myristate 427.35
    n-butyric acid 2939.58
    acetyl acetate 979.75
    di(2-ethylhexyl) phthalate 329.06
    ethyl propionate 1311.66
    nitromethane 2648.27
    1,2-diethoxyethane 2326.04
    benzonitrile 1198.41
    trioctyl phosphate 260.99
    1-bromopropane 2943.16
    gamma-valerolactone 3239.98
    n-decanol 379.1
    triethyl phosphate 385.39
    4-methyl-2-pentanol 802.55
    propionitrile 2195.5
    vinylene carbonate 1255.1
    1,1,2-trichlorotrifluoroethane 1832.29
    DMS 720.83
    cumene 335.23
    2-octanol 462.18
    2-hexanone 2156.94
    octyl acetate 509.65
    limonene 711.8
    1,2-dimethoxyethane 2450.54
    ethyl orthosilicate 418.08
    tributyl phosphate 377.8
    diacetone alcohol 1323.53
    N,N-dimethylaniline 505.38
    acrylonitrile 2199.34
    aniline 1239.29
    1,3-propanediol 1425.13
    bromobenzene 1523.11
    dibromomethane 3661.94
    1,1,2,2-tetrachloroethane 3328.47
    2-methyl-cyclohexyl acetate 780.27
    tetrabutyl urea 474.3
    diisobutyl methanol 644.89
    2-phenylethanol 825.81
    styrene 824.55
    dioctyl adipate 575.58
    dimethyl sulfate 621.37
    ethyl butyrate 1460.35
    methyl lactate 540.21
    butyl lactate 676.59
    diethyl carbonate 680.21
    propanediol butyl ether 912.06
    triethyl orthoformate 769.9
    p-tert-butyltoluene 336.56
    methyl 4-tert-butylbenzoate 553.97
    morpholine 3835.97
    tert-butylamine 2230.1
    n-dodecanol 284.09
    dimethoxymethane 1828.9
    ethylene carbonate 1068.54
    cyrene 543.19
    2-ethoxyethyl acetate 1152.06
    2-ethylhexyl acetate 1397.84
    1,2,4-trichlorobenzene 1060.28
    4-methylpyridine 2605.39
    dibutyl ether 1535.22
    2,6-dimethyl-4-heptanol 644.89
    DEF 2405.56
    dimethyl isosorbide 1166.01
    tetrachloroethylene 2318.98
    eugenol 573.29
    triacetin 827.17
    span 80 782.01
    1,4-butanediol 502.45
    1,1-dichloroethane 3629.67
    2-methyl-1-pentanol 1324.86
    methyl formate 977.33
    2-methyl-1-butanol 1849.18
    n-decane 147.75
    butyronitrile 2682.04
    3,7-dimethyl-1-octanol 709.39
    1-chlorooctane 564.55
    1-chlorotetradecane 176.96
    n-nonane 174.89
    undecane 99.03
    tert-butylcyclohexane 300.24
    cyclooctane 270.42
    cyclopentanol 2378.24
    tetrahydropyran 4758.75
    tert-amyl methyl ether 1486.04
    2,5,8-trioxanonane 1204.62
    1-hexene 2689.12
    2-isopropoxyethanol 1068.05
    2,2,2-trifluoroethanol 359.07
    methyl butyrate 1931.72

    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