(2E,4E)-dodeca-2,4-diene

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  • Identifiers

    CAS number
    74685-27-1

    Molecular formula
    C12H22

    SMILES
    CCCCCCC/C=C/C=C/C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 48.22%
    Citrus 45.98%
    Green 43.44%
    Gassy 41.91%
    Oily 39.31%
    Waxy 35.37%
    Fatty 33.93%
    Fruity 30.86%
    Fresh 30.13%
    Woody 29.85%

     

    Flavor
    Citrus 27.27%
    Oriental 21.07%
    Diterpene 20.32%
    Low 20.3%
    Pumpkin 19.83%
    Opoponax 19.18%
    Delicate 19.06%
    Honeydew 18.87%
    Terpentine 18.66%
    Nitrile 18.45%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    8.98 (weak base)

    Molecular weight
    166.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    217°C

    Flash point

    • 84.08 ˚C est.

  • Synonyms

    • (2E,4E)-dodeca-2,4-diene
    • SCHEMBL2275976
    • SCHEMBL2873778
    • SCHEMBL3718542
    • DTXSID101020814
    • 74685-27-1
    • 74685-27-1

  • Applications

    Applications of (2E,4E)-dodeca-2,4-diene (CAS number: 74685-27-1) are centered on its role as an building block in industrial chemistry: it is evaluated as an intermediate for the synthesis of specialty polymers and resins, serving as a reactive monomer or co-monomer in polymer formulations; in coatings and inks, it can act as a reactive olefin component in UV-curable systems or adhesive formulations; in fragrance chemistry, it may be used as a precursor toward fragrance molecules or other aroma-related compounds; and as a general industrial building block, it provides a starting point for synthetic routes to access conjugated dienes and related materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2347.77
    methanol 1015.26
    isopropanol 2720.66
    water 0.0
    ethyl acetate 6136.48
    n-propanol 2557.63
    acetone 4730.95
    n-butanol 3747.76
    acetonitrile 1795.8
    DMF 1631.45
    toluene 4394.14
    isobutanol 2198.77
    1,4-dioxane 7282.64
    methyl acetate 2694.19
    THF 13926.43
    2-butanone 5016.16
    n-pentanol 2754.1
    sec-butanol 3473.47
    n-hexane 9839.72
    ethylene glycol 79.89
    NMP 1376.51
    cyclohexane 12054.03
    DMSO 3157.55
    n-butyl acetate 12130.28
    n-octanol 1592.1
    chloroform 6546.48
    n-propyl acetate 4281.65
    acetic acid 662.97
    dichloromethane 7489.32
    cyclohexanone 6230.4
    propylene glycol 240.23
    isopropyl acetate 4421.31
    DMAc 1414.1
    2-ethoxyethanol 1690.21
    isopentanol 3731.05
    n-heptane 10491.27
    ethyl formate 1253.96
    1,2-dichloroethane 6919.95
    n-hexanol 6247.51
    2-methoxyethanol 2067.94
    isobutyl acetate 2679.82
    tetrachloromethane 1779.72
    n-pentyl acetate 3297.26
    transcutol 8109.23
    n-heptanol 1653.52
    ethylbenzene 2137.52
    MIBK 4162.32
    2-propoxyethanol 4065.61
    tert-butanol 4742.91
    MTBE 11200.3
    2-butoxyethanol 1721.58
    propionic acid 843.52
    o-xylene 1814.92
    formic acid 44.7
    diethyl ether 16485.7
    m-xylene 2404.53
    p-xylene 2041.51
    chlorobenzene 2477.7
    dimethyl carbonate 447.42
    n-octane 1919.29
    formamide 91.52
    cyclopentanone 4637.96
    2-pentanone 6501.98
    anisole 2261.1
    cyclopentyl methyl ether 8482.98
    gamma-butyrolactone 2669.43
    1-methoxy-2-propanol 2305.39
    pyridine 5040.17
    3-pentanone 4050.2
    furfural 1483.35
    n-dodecane 616.54
    diethylene glycol 878.02
    diisopropyl ether 5705.71
    tert-amyl alcohol 4188.97
    acetylacetone 3351.62
    n-hexadecane 739.54
    acetophenone 1284.11
    methyl propionate 2646.4
    isopentyl acetate 8466.41
    trichloroethylene 6792.54
    n-nonanol 1475.78
    cyclohexanol 3928.3
    benzyl alcohol 919.16
    2-ethylhexanol 6290.06
    isooctanol 1579.68
    dipropyl ether 19253.52
    1,2-dichlorobenzene 1726.8
    ethyl lactate 553.61
    propylene carbonate 1570.05
    n-methylformamide 491.87
    2-pentanol 4193.5
    n-pentane 6513.71
    1-propoxy-2-propanol 5303.7
    1-methoxy-2-propyl acetate 4372.13
    2-(2-methoxypropoxy) propanol 1271.7
    mesitylene 1675.48
    ε-caprolactone 4240.56
    p-cymene 2068.9
    epichlorohydrin 5549.14
    1,1,1-trichloroethane 6702.98
    2-aminoethanol 283.51
    morpholine-4-carbaldehyde 1861.73
    sulfolane 2878.7
    2,2,4-trimethylpentane 1530.48
    2-methyltetrahydrofuran 13014.67
    n-hexyl acetate 3739.95
    isooctane 1512.49
    2-(2-butoxyethoxy)ethanol 2092.15
    sec-butyl acetate 3265.84
    tert-butyl acetate 4959.75
    decalin 2379.69
    glycerin 219.71
    diglyme 4493.74
    acrylic acid 361.64
    isopropyl myristate 1445.23
    n-butyric acid 2728.73
    acetyl acetate 1867.71
    di(2-ethylhexyl) phthalate 589.9
    ethyl propionate 3406.81
    nitromethane 1123.69
    1,2-diethoxyethane 11292.74
    benzonitrile 1433.38
    trioctyl phosphate 581.23
    1-bromopropane 11722.08
    gamma-valerolactone 3558.4
    n-decanol 1110.71
    triethyl phosphate 1222.54
    4-methyl-2-pentanol 2239.7
    propionitrile 2436.77
    vinylene carbonate 971.21
    1,1,2-trichlorotrifluoroethane 1580.54
    DMS 1085.1
    cumene 1184.56
    2-octanol 1302.02
    2-hexanone 5181.25
    octyl acetate 1522.68
    limonene 5041.01
    1,2-dimethoxyethane 6059.64
    ethyl orthosilicate 1597.14
    tributyl phosphate 821.55
    diacetone alcohol 2593.68
    N,N-dimethylaniline 1318.73
    acrylonitrile 1439.73
    aniline 1902.17
    1,3-propanediol 765.56
    bromobenzene 3433.21
    dibromomethane 7798.06
    1,1,2,2-tetrachloroethane 5996.86
    2-methyl-cyclohexyl acetate 2779.27
    tetrabutyl urea 1047.13
    diisobutyl methanol 3416.39
    2-phenylethanol 1748.05
    styrene 2582.34
    dioctyl adipate 1365.18
    dimethyl sulfate 508.53
    ethyl butyrate 7829.91
    methyl lactate 424.57
    butyl lactate 1084.24
    diethyl carbonate 2604.52
    propanediol butyl ether 795.19
    triethyl orthoformate 4098.13
    p-tert-butyltoluene 1985.65
    methyl 4-tert-butylbenzoate 973.05
    morpholine 8165.09
    tert-butylamine 5194.29
    n-dodecanol 908.47
    dimethoxymethane 2966.74
    ethylene carbonate 1170.81
    cyrene 625.31
    2-ethoxyethyl acetate 2805.69
    2-ethylhexyl acetate 7430.09
    1,2,4-trichlorobenzene 1745.95
    4-methylpyridine 4735.94
    dibutyl ether 9973.73
    2,6-dimethyl-4-heptanol 3416.39
    DEF 4057.59
    dimethyl isosorbide 2269.54
    tetrachloroethylene 3658.42
    eugenol 732.19
    triacetin 1388.84
    span 80 1342.85
    1,4-butanediol 254.17
    1,1-dichloroethane 7224.17
    2-methyl-1-pentanol 2717.25
    methyl formate 351.35
    2-methyl-1-butanol 3092.33
    n-decane 1454.09
    butyronitrile 4530.78
    3,7-dimethyl-1-octanol 2442.39
    1-chlorooctane 3036.87
    1-chlorotetradecane 916.64
    n-nonane 1955.89
    undecane 873.93
    tert-butylcyclohexane 1961.21
    cyclooctane 4031.91
    cyclopentanol 2514.16
    tetrahydropyran 17736.68
    tert-amyl methyl ether 6871.11
    2,5,8-trioxanonane 2244.32
    1-hexene 14305.3
    2-isopropoxyethanol 1645.39
    2,2,2-trifluoroethanol 92.71
    methyl butyrate 4279.33

    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