3-Octenal

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  • Identifiers

    CAS number
    60671-71-8

    Molecular formula
    C8H14O

    SMILES
    CCCC/C=C/CC=O

  • Odor profile

    Green 82.48%
    Fatty 68.82%
    Fruity 58.5%
    Melon 55.32%
    Fresh 50.52%
    Cucumber 48.94%
    Citrus 47.58%
    Aldehydic 46.06%
    Vegetable 40.35%
    Waxy 39.08%

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  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    178°C

    Flash point est.
    64.06 ˚C

  • Synonyms

    • 3-octenal
    • trans-3-Octenal
    • 3-Octenal, (E)-
    • 3-Octenal, (3E)-
    • 9526842L2N
    • UNII-9526842L2N
    • 76595-71-6
    • (E)-oct-3-enal
    • LMFA06000030
    • (3E)-3-octenal
    • SCHEMBL532275
    • CHEBI:195680
    • WDWAUVJQFVTKEW-AATRIKPKSA-N
    • Q27271722

  • Applications

    3-Octenal (CAS 60671-71-8) is an unsaturated aliphatic aldehyde with a green, fatty, citrus- and cucumber-like odor used widely as a flavor and fragrance ingredient in foods and beverages (to boost freshness in citrus, grapefruit, melon, tomato, and green-vegetable accords and to balance or mask fatty/rancid notes), in fine fragrance and home/personal care to add natural fresh top notes; in aroma and food research as a model lipid-oxidation volatile and GC/GC-MS reference standard for tracking aroma changes in oils, meats, and dairy, and as a constituent of natural volatile blends studied for effects on insect behavior and plant defense signaling; it also serves as a versatile synthetic intermediate (selective reductions, oxime/Schiff base formation, epoxidation–ring opening) toward tailored aroma chemicals, typically dosed at very low levels and formulated/stored tightly to limit auto-oxidation and off-odor development.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4100.05
    methanol 4202.89
    isopropanol 2926.97
    water 0.25
    ethyl acetate 2549.36
    n-propanol 2925.39
    acetone 5256.58
    n-butanol 2734.83
    acetonitrile 2096.98
    DMF 3094.86
    toluene 850.89
    isobutanol 1901.06
    1,4-dioxane 2604.07
    methyl acetate 1795.15
    THF 4536.01
    2-butanone 2908.56
    n-pentanol 1574.57
    sec-butanol 2013.75
    n-hexane 710.76
    ethylene glycol 485.16
    NMP 2053.41
    cyclohexane 676.95
    DMSO 5305.75
    n-butyl acetate 2174.17
    n-octanol 518.64
    chloroform 3166.74
    n-propyl acetate 1568.89
    acetic acid 1940.27
    dichloromethane 3588.93
    cyclohexanone 3286.56
    propylene glycol 782.1
    isopropyl acetate 1214.29
    DMAc 1243.76
    2-ethoxyethanol 1367.31
    isopentanol 1884.87
    n-heptane 339.78
    ethyl formate 1072.28
    1,2-dichloroethane 2740.73
    n-hexanol 1954.21
    2-methoxyethanol 2801.53
    isobutyl acetate 785.04
    tetrachloromethane 701.95
    n-pentyl acetate 792.92
    transcutol 4876.84
    n-heptanol 515.35
    ethylbenzene 421.7
    MIBK 1123.22
    2-propoxyethanol 2089.6
    tert-butanol 2760.49
    MTBE 2058.66
    2-butoxyethanol 842.93
    propionic acid 1782.49
    o-xylene 414.38
    formic acid 398.74
    diethyl ether 2695.41
    m-xylene 571.88
    p-xylene 482.45
    chlorobenzene 1092.73
    dimethyl carbonate 365.96
    n-octane 87.78
    formamide 622.14
    cyclopentanone 3649.91
    2-pentanone 2623.91
    anisole 746.57
    cyclopentyl methyl ether 2439.49
    gamma-butyrolactone 3095.3
    1-methoxy-2-propanol 2095.26
    pyridine 2425.67
    3-pentanone 1480.97
    furfural 1781.14
    n-dodecane 47.23
    diethylene glycol 1121.91
    diisopropyl ether 620.53
    tert-amyl alcohol 1827.75
    acetylacetone 1849.67
    n-hexadecane 54.22
    acetophenone 642.42
    methyl propionate 1650.58
    isopentyl acetate 1491.79
    trichloroethylene 4042.08
    n-nonanol 410.31
    cyclohexanol 2018.05
    benzyl alcohol 663.8
    2-ethylhexanol 1023.75
    isooctanol 406.02
    dipropyl ether 1481.2
    1,2-dichlorobenzene 825.4
    ethyl lactate 406.69
    propylene carbonate 1288.19
    n-methylformamide 1602.02
    2-pentanol 1703.14
    n-pentane 482.69
    1-propoxy-2-propanol 1700.02
    1-methoxy-2-propyl acetate 1224.42
    2-(2-methoxypropoxy) propanol 672.49
    mesitylene 331.84
    ε-caprolactone 2119.98
    p-cymene 277.69
    epichlorohydrin 3077.32
    1,1,1-trichloroethane 2276.76
    2-aminoethanol 1105.85
    morpholine-4-carbaldehyde 1697.17
    sulfolane 3321.88
    2,2,4-trimethylpentane 141.3
    2-methyltetrahydrofuran 3730.17
    n-hexyl acetate 1029.37
    isooctane 130.79
    2-(2-butoxyethoxy)ethanol 1022.84
    sec-butyl acetate 817.92
    tert-butyl acetate 1158.42
    decalin 215.98
    glycerin 735.37
    diglyme 1839.69
    acrylic acid 1160.93
    isopropyl myristate 327.32
    n-butyric acid 2593.62
    acetyl acetate 869.18
    di(2-ethylhexyl) phthalate 267.48
    ethyl propionate 1070.5
    nitromethane 2653.0
    1,2-diethoxyethane 1957.18
    benzonitrile 968.61
    trioctyl phosphate 208.67
    1-bromopropane 2200.48
    gamma-valerolactone 2986.36
    n-decanol 292.6
    triethyl phosphate 320.43
    4-methyl-2-pentanol 687.0
    propionitrile 1853.52
    vinylene carbonate 1085.46
    1,1,2-trichlorotrifluoroethane 1813.4
    DMS 606.57
    cumene 258.85
    2-octanol 355.94
    2-hexanone 1726.57
    octyl acetate 395.18
    limonene 579.73
    1,2-dimethoxyethane 2234.44
    ethyl orthosilicate 344.28
    tributyl phosphate 297.62
    diacetone alcohol 1266.27
    N,N-dimethylaniline 417.19
    acrylonitrile 1907.39
    aniline 1107.56
    1,3-propanediol 1550.14
    bromobenzene 1176.31
    dibromomethane 2757.92
    1,1,2,2-tetrachloroethane 2960.96
    2-methyl-cyclohexyl acetate 627.75
    tetrabutyl urea 371.8
    diisobutyl methanol 526.24
    2-phenylethanol 741.88
    styrene 630.64
    dioctyl adipate 454.17
    dimethyl sulfate 578.87
    ethyl butyrate 1180.41
    methyl lactate 531.89
    butyl lactate 555.11
    diethyl carbonate 556.42
    propanediol butyl ether 793.73
    triethyl orthoformate 628.49
    p-tert-butyltoluene 272.52
    methyl 4-tert-butylbenzoate 446.89
    morpholine 3654.17
    tert-butylamine 1876.81
    n-dodecanol 219.23
    dimethoxymethane 1744.59
    ethylene carbonate 912.11
    cyrene 484.83
    2-ethoxyethyl acetate 938.72
    2-ethylhexyl acetate 1102.28
    1,2,4-trichlorobenzene 895.54
    4-methylpyridine 2137.5
    dibutyl ether 1091.88
    2,6-dimethyl-4-heptanol 526.24
    DEF 2054.67
    dimethyl isosorbide 1033.01
    tetrachloroethylene 2018.22
    eugenol 484.83
    triacetin 678.27
    span 80 683.5
    1,4-butanediol 525.03
    1,1-dichloroethane 2908.98
    2-methyl-1-pentanol 1136.78
    methyl formate 952.76
    2-methyl-1-butanol 1671.61
    n-decane 93.1
    butyronitrile 2204.95
    3,7-dimethyl-1-octanol 564.43
    1-chlorooctane 384.59
    1-chlorotetradecane 126.08
    n-nonane 105.82
    undecane 63.67
    tert-butylcyclohexane 216.09
    cyclooctane 184.39
    cyclopentanol 2183.57
    tetrahydropyran 4118.81
    tert-amyl methyl ether 1205.63
    2,5,8-trioxanonane 1081.36
    1-hexene 1811.22
    2-isopropoxyethanol 961.08
    2,2,2-trifluoroethanol 357.41
    methyl butyrate 1560.39

    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
Cilantro (Coriander leaf) 1 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.97%
Lemon balm (Slovak Republic) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.12%