5-Dodecenal, (5E)-

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  • Identifiers

    CAS number
    68820-34-8

    Molecular formula
    C12H22O

    SMILES
    CCCCCC/C=C/CCCC=O

  • Odor profile

    Fragrance
    Citrus 78.02%
    Fatty 70.12%
    Waxy 66.34%
    Aldehydic 59.32%
    Fruity 54.09%
    Orange 53.94%
    Green 52.24%
    Floral 51.76%
    Fresh 50.07%
    Cucumber 39.8%

     

    Flavor
    Waxy 49.95%
    Citrus 46.53%
    Fatty 40.72%
    Aldehydic 36.51%
    Fresh 33.24%
    Melon 33.03%
    Cucumber 31.47%
    Orange 29.59%
    Rose 28.89%
    Green 28.61%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.24 (neutral)

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point

    • 113.37 ˚C est.

  • Synonyms

    • trans-5-Dodecenal
    • (5E)-Dodecenal
    • trans-Dodec-5-enal
    • 5-Dodecenal, (5E)-
    • Fema No. 4885
    • 9705CNN8XC
    • 68820-34-8
    • UNII-9705CNN8XC
    • (E)-5-Dodecenal
    • 5-Dodecenal, E
    • (5E)-5-Dodecenal
    • (5E)-5-Dodecenal #
    • SCHEMBL1701689
    • MXYKXSMSECVABY-BQYQJAHWSA-N

  • Applications

    5-Dodecenal, (5E)- (CAS 68820-34-8) is primarily used in fragrance applications as an odorant and fragrance ingredient, contributing long-chain aldehydic notes with green characteristics typical of C12 compounds. In cosmetics and personal care, it appears as a fragrance component in products such as perfumes, moisturizers, and shampoos. In household and cleaning products, it is used to impart a fresh scent. In industrial manufacturing, it is commonly viewed as a chemical intermediate for the synthesis of other fragrance compounds and can function as a fixative or scent carrier in coatings, inks, and polymer formulations. Its use is typically subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2891.89
    methanol 2271.25
    isopropanol 2938.1
    water 0.01
    ethyl acetate 3494.83
    n-propanol 2641.07
    acetone 4433.95
    n-butanol 2695.04
    acetonitrile 1720.16
    DMF 1707.37
    toluene 1148.22
    isobutanol 1825.75
    1,4-dioxane 3124.56
    methyl acetate 1765.62
    THF 5657.65
    2-butanone 3488.01
    n-pentanol 1919.83
    sec-butanol 2400.91
    n-hexane 1812.19
    ethylene glycol 124.33
    NMP 1237.55
    cyclohexane 1753.25
    DMSO 3462.84
    n-butyl acetate 3100.8
    n-octanol 594.57
    chloroform 3706.49
    n-propyl acetate 2574.79
    acetic acid 922.73
    dichloromethane 4352.2
    cyclohexanone 3899.02
    propylene glycol 333.48
    isopropyl acetate 2089.79
    DMAc 1059.34
    2-ethoxyethanol 1567.95
    isopentanol 2352.75
    n-heptane 733.73
    ethyl formate 981.37
    1,2-dichloroethane 3786.91
    n-hexanol 2096.6
    2-methoxyethanol 2324.39
    isobutyl acetate 1340.15
    tetrachloromethane 763.68
    n-pentyl acetate 1333.83
    transcutol 5770.94
    n-heptanol 629.04
    ethylbenzene 661.03
    MIBK 1839.08
    2-propoxyethanol 2217.31
    tert-butanol 3105.86
    MTBE 3676.65
    2-butoxyethanol 1016.95
    propionic acid 967.44
    o-xylene 536.06
    formic acid 115.35
    diethyl ether 5635.52
    m-xylene 700.18
    p-xylene 686.47
    chlorobenzene 1159.39
    dimethyl carbonate 276.64
    n-octane 186.83
    formamide 220.91
    cyclopentanone 3074.03
    2-pentanone 3750.34
    anisole 950.44
    cyclopentyl methyl ether 3402.47
    gamma-butyrolactone 2303.27
    1-methoxy-2-propanol 2175.05
    pyridine 2486.4
    3-pentanone 2008.22
    furfural 1389.44
    n-dodecane 76.65
    diethylene glycol 789.55
    diisopropyl ether 1433.77
    tert-amyl alcohol 2170.46
    acetylacetone 2011.28
    n-hexadecane 92.0
    acetophenone 789.14
    methyl propionate 1688.02
    isopentyl acetate 2365.63
    trichloroethylene 4197.89
    n-nonanol 522.71
    cyclohexanol 2205.43
    benzyl alcohol 718.08
    2-ethylhexanol 1408.33
    isooctanol 598.39
    dipropyl ether 3139.81
    1,2-dichlorobenzene 929.39
    ethyl lactate 472.81
    propylene carbonate 1180.19
    n-methylformamide 780.65
    2-pentanol 2233.73
    n-pentane 1028.05
    1-propoxy-2-propanol 2115.7
    1-methoxy-2-propyl acetate 1723.51
    2-(2-methoxypropoxy) propanol 750.94
    mesitylene 480.38
    ε-caprolactone 2473.59
    p-cymene 396.5
    epichlorohydrin 3365.62
    1,1,1-trichloroethane 2924.13
    2-aminoethanol 490.28
    morpholine-4-carbaldehyde 1480.56
    sulfolane 2339.79
    2,2,4-trimethylpentane 247.08
    2-methyltetrahydrofuran 5232.14
    n-hexyl acetate 1458.54
    isooctane 248.45
    2-(2-butoxyethoxy)ethanol 1182.83
    sec-butyl acetate 1559.84
    tert-butyl acetate 1965.64
    decalin 428.6
    glycerin 315.88
    diglyme 2309.2
    acrylic acid 490.84
    isopropyl myristate 490.61
    n-butyric acid 2417.42
    acetyl acetate 1031.69
    di(2-ethylhexyl) phthalate 292.85
    ethyl propionate 1793.71
    nitromethane 1470.44
    1,2-diethoxyethane 3422.12
    benzonitrile 996.84
    trioctyl phosphate 246.54
    1-bromopropane 3883.71
    gamma-valerolactone 2978.51
    n-decanol 364.68
    triethyl phosphate 462.29
    4-methyl-2-pentanol 1022.21
    propionitrile 1923.86
    vinylene carbonate 860.46
    1,1,2-trichlorotrifluoroethane 1484.96
    DMS 637.57
    cumene 387.37
    2-octanol 484.94
    2-hexanone 2706.22
    octyl acetate 541.08
    limonene 861.81
    1,2-dimethoxyethane 3203.67
    ethyl orthosilicate 516.25
    tributyl phosphate 363.43
    diacetone alcohol 1498.82
    N,N-dimethylaniline 563.24
    acrylonitrile 1407.45
    aniline 1101.81
    1,3-propanediol 950.37
    bromobenzene 1363.95
    dibromomethane 3760.2
    1,1,2,2-tetrachloroethane 3421.86
    2-methyl-cyclohexyl acetate 964.84
    tetrabutyl urea 437.85
    diisobutyl methanol 801.4
    2-phenylethanol 816.4
    styrene 879.69
    dioctyl adipate 605.69
    dimethyl sulfate 385.65
    ethyl butyrate 1964.58
    methyl lactate 402.08
    butyl lactate 694.1
    diethyl carbonate 827.5
    propanediol butyl ether 694.76
    triethyl orthoformate 1053.56
    p-tert-butyltoluene 382.19
    methyl 4-tert-butylbenzoate 554.84
    morpholine 4522.65
    tert-butylamine 2419.07
    n-dodecanol 270.5
    dimethoxymethane 1845.31
    ethylene carbonate 859.62
    cyrene 497.33
    2-ethoxyethyl acetate 1365.39
    2-ethylhexyl acetate 1815.72
    1,2,4-trichlorobenzene 929.03
    4-methylpyridine 2407.89
    dibutyl ether 2121.88
    2,6-dimethyl-4-heptanol 801.4
    DEF 2531.05
    dimethyl isosorbide 1205.03
    tetrachloroethylene 2279.74
    eugenol 502.45
    triacetin 840.16
    span 80 727.47
    1,4-butanediol 338.21
    1,1-dichloroethane 4014.52
    2-methyl-1-pentanol 1519.57
    methyl formate 421.35
    2-methyl-1-butanol 1921.33
    n-decane 180.18
    butyronitrile 2711.1
    3,7-dimethyl-1-octanol 747.06
    1-chlorooctane 640.76
    1-chlorotetradecane 189.88
    n-nonane 219.0
    undecane 109.89
    tert-butylcyclohexane 389.73
    cyclooctane 461.84
    cyclopentanol 1715.01
    tetrahydropyran 6684.78
    tert-amyl methyl ether 2145.72
    2,5,8-trioxanonane 1260.77
    1-hexene 3848.32
    2-isopropoxyethanol 1260.71
    2,2,2-trifluoroethanol 152.35
    methyl butyrate 2393.89

    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
Cardamom (Costa Rica) 8000-66-6 Elettaria cardamomum (L.) Maton, fam. Zingiberaceae 0.1%