3-Dodecenal

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  • Identifiers

    CAS number
    76595-72-7

    Molecular formula
    C12H22O

    SMILES
    CCCCCCCC/C=C/CC=O

  • Odor profile

    Citrus 77.18%
    Fatty 68.03%
    Waxy 60.81%
    Aldehydic 57.47%
    Green 52.48%
    Orange 49.94%
    Fresh 47.38%
    Fruity 46.87%
    Floral 41.73%
    Cucumber 39.8%

    Scent© AI

  • Properties

    XLogP3-AA
    4.4

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point est.
    112.85 ˚C

  • Synonyms

    • 3-Dodecenal
    • 3-Dodecenal, (3E)-
    • UNII-M179Z816UB
    • M179Z816UB
    • 76595-72-7
    • 3-dodecen-1-al
    • (3Z)-3-Dodecenal
    • 3-dodecenal, E
    • (E)-dodec-3-enal
    • UNII-H20639KSS5
    • EINECS 268-406-2
    • (E)-3-Dodecenal
    • (3E)-3-dodecenal
    • SCHEMBL453509
    • HBBONAOKVLYWBI-MDZDMXLPSA-N
    • H20639KSS5
    • AKOS006273041
    • Q27283339

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2610.99
    methanol 1951.86
    isopropanol 2620.93
    water 0.01
    ethyl acetate 3070.39
    n-propanol 2401.1
    acetone 4334.2
    n-butanol 2323.92
    acetonitrile 1525.72
    DMF 1704.43
    toluene 1039.53
    isobutanol 1655.85
    1,4-dioxane 2875.76
    methyl acetate 1575.64
    THF 5655.58
    2-butanone 3273.21
    n-pentanol 1651.28
    sec-butanol 2090.19
    n-hexane 1392.23
    ethylene glycol 122.36
    NMP 1233.5
    cyclohexane 1556.35
    DMSO 3606.39
    n-butyl acetate 2642.71
    n-octanol 485.24
    chloroform 3324.81
    n-propyl acetate 2193.58
    acetic acid 800.3
    dichloromethane 3948.05
    cyclohexanone 3723.62
    propylene glycol 339.08
    isopropyl acetate 1836.32
    DMAc 1016.3
    2-ethoxyethanol 1453.16
    isopentanol 2052.58
    n-heptane 619.03
    ethyl formate 889.79
    1,2-dichloroethane 3518.65
    n-hexanol 1839.91
    2-methoxyethanol 2190.66
    isobutyl acetate 1147.45
    tetrachloromethane 695.21
    n-pentyl acetate 1122.37
    transcutol 5000.81
    n-heptanol 538.85
    ethylbenzene 561.17
    MIBK 1675.89
    2-propoxyethanol 2055.63
    tert-butanol 2834.87
    MTBE 3195.68
    2-butoxyethanol 916.29
    propionic acid 889.84
    o-xylene 490.28
    formic acid 101.69
    diethyl ether 4831.39
    m-xylene 642.29
    p-xylene 588.26
    chlorobenzene 1030.37
    dimethyl carbonate 262.66
    n-octane 151.6
    formamide 205.51
    cyclopentanone 3106.93
    2-pentanone 3462.45
    anisole 836.08
    cyclopentyl methyl ether 3294.44
    gamma-butyrolactone 2273.4
    1-methoxy-2-propanol 2071.98
    pyridine 2287.37
    3-pentanone 1865.48
    furfural 1312.65
    n-dodecane 63.24
    diethylene glycol 749.78
    diisopropyl ether 1192.1
    tert-amyl alcohol 1905.51
    acetylacetone 1898.77
    n-hexadecane 76.31
    acetophenone 694.3
    methyl propionate 1588.84
    isopentyl acetate 2060.01
    trichloroethylene 3894.58
    n-nonanol 430.3
    cyclohexanol 2043.5
    benzyl alcohol 644.08
    2-ethylhexanol 1211.52
    isooctanol 504.89
    dipropyl ether 2705.55
    1,2-dichlorobenzene 852.78
    ethyl lactate 433.93
    propylene carbonate 1122.26
    n-methylformamide 743.87
    2-pentanol 1915.93
    n-pentane 846.49
    1-propoxy-2-propanol 1932.64
    1-methoxy-2-propyl acetate 1574.14
    2-(2-methoxypropoxy) propanol 664.43
    mesitylene 435.59
    ε-caprolactone 2268.22
    p-cymene 355.89
    epichlorohydrin 3324.76
    1,1,1-trichloroethane 2672.41
    2-aminoethanol 478.11
    morpholine-4-carbaldehyde 1416.43
    sulfolane 2400.67
    2,2,4-trimethylpentane 203.82
    2-methyltetrahydrofuran 4902.3
    n-hexyl acetate 1226.02
    isooctane 200.9
    2-(2-butoxyethoxy)ethanol 1040.69
    sec-butyl acetate 1312.15
    tert-butyl acetate 1760.85
    decalin 358.0
    glycerin 307.65
    diglyme 2068.93
    acrylic acid 449.49
    isopropyl myristate 423.38
    n-butyric acid 2138.18
    acetyl acetate 906.94
    di(2-ethylhexyl) phthalate 257.28
    ethyl propionate 1580.13
    nitromethane 1343.38
    1,2-diethoxyethane 2932.47
    benzonitrile 855.32
    trioctyl phosphate 218.18
    1-bromopropane 3486.22
    gamma-valerolactone 2855.63
    n-decanol 302.28
    triethyl phosphate 416.49
    4-methyl-2-pentanol 878.65
    propionitrile 1699.45
    vinylene carbonate 803.33
    1,1,2-trichlorotrifluoroethane 1443.43
    DMS 566.41
    cumene 333.29
    2-octanol 397.68
    2-hexanone 2350.83
    octyl acetate 466.39
    limonene 776.21
    1,2-dimethoxyethane 2848.97
    ethyl orthosilicate 457.26
    tributyl phosphate 317.99
    diacetone alcohol 1410.04
    N,N-dimethylaniline 485.36
    acrylonitrile 1263.64
    aniline 987.93
    1,3-propanediol 888.05
    bromobenzene 1231.97
    dibromomethane 3341.45
    1,1,2,2-tetrachloroethane 3235.12
    2-methyl-cyclohexyl acetate 856.57
    tetrabutyl urea 385.25
    diisobutyl methanol 686.9
    2-phenylethanol 727.0
    styrene 739.97
    dioctyl adipate 539.08
    dimethyl sulfate 388.58
    ethyl butyrate 1702.12
    methyl lactate 384.17
    butyl lactate 610.04
    diethyl carbonate 726.82
    propanediol butyl ether 614.94
    triethyl orthoformate 929.57
    p-tert-butyltoluene 343.56
    methyl 4-tert-butylbenzoate 499.48
    morpholine 4262.88
    tert-butylamine 2123.96
    n-dodecanol 225.72
    dimethoxymethane 1780.07
    ethylene carbonate 808.51
    cyrene 462.48
    2-ethoxyethyl acetate 1206.75
    2-ethylhexyl acetate 1565.26
    1,2,4-trichlorobenzene 853.59
    4-methylpyridine 2088.51
    dibutyl ether 1740.6
    2,6-dimethyl-4-heptanol 686.9
    DEF 2319.53
    dimethyl isosorbide 1119.41
    tetrachloroethylene 2094.21
    eugenol 445.35
    triacetin 740.2
    span 80 638.37
    1,4-butanediol 313.7
    1,1-dichloroethane 3642.99
    2-methyl-1-pentanol 1273.16
    methyl formate 405.39
    2-methyl-1-butanol 1673.98
    n-decane 144.29
    butyronitrile 2337.76
    3,7-dimethyl-1-octanol 627.76
    1-chlorooctane 541.5
    1-chlorotetradecane 162.4
    n-nonane 176.08
    undecane 89.89
    tert-butylcyclohexane 318.5
    cyclooctane 399.79
    cyclopentanol 1703.02
    tetrahydropyran 6107.13
    tert-amyl methyl ether 1869.02
    2,5,8-trioxanonane 1138.51
    1-hexene 3075.72
    2-isopropoxyethanol 1139.71
    2,2,2-trifluoroethanol 138.37
    methyl butyrate 2090.79

    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