Deca-3,7-diene

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  • Identifiers

    CAS number
    20996-35-4

    Molecular formula
    C10H18

    SMILES
    CCC=CCCC=CCC

    Safety labels

  • Odor profile

    Fragrance
    Gassy 56.07%
    Green 48.29%
    Citrus 38.77%
    Herbal 32.49%
    Fresh 26.87%
    Fishy 25.48%
    Oily 23.65%
    Fatty 22.53%
    Cucumber 22.11%
    Vegetable 21.51%

     

    Flavor
    Oriental 18.38%
    Honeydew 18.06%
    Pumpkin 17.97%
    Low 17.72%
    Citrus 17.71%
    Skunky 17.61%
    Biscuit 17.49%
    Diterpene 17.44%
    Bloody 17.42%
    Alkane 17.39%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.65 (weak base)

    Molecular weight
    138.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    163°C

    Flash point

    • 53.19 ˚C est.

  • Synonyms

    • deca-3,7-diene
    • 20996-35-4
    • (E,E)-3,7-decadiene
    • SCHEMBL2363271
    • SCHEMBL4929538
    • SCHEMBL8648395
    • DTXSID80943300
    • 20996-35-4

  • Applications

    Deca-3,7-diene (CAS 20996-35-4) is primarily encountered as a chemical building block for industrial synthesis. In practice, it may be used as an intermediate in fragrance chemistry and perfumery, serving as a precursor to aroma compounds. It may also function as a monomer or crosslinking agent in specialty polymers and resins, with potential applications in coatings and inks. In cosmetics and personal care, it can appear as a fragrance-related ingredient or processing aid in formulations where scent effects are relevant. Additionally, it is encountered in broader industrial manufacturing as a hydrocarbon intermediate, subject to formulation controls and applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 366.36
    methanol 164.82
    isopropanol 446.49
    water 0.0
    ethyl acetate 1601.16
    n-propanol 465.74
    acetone 1166.8
    n-butanol 729.3
    acetonitrile 457.31
    DMF 671.99
    toluene 1698.5
    isobutanol 437.04
    1,4-dioxane 2224.51
    methyl acetate 814.1
    THF 4936.03
    2-butanone 1362.77
    n-pentanol 551.93
    sec-butanol 678.56
    n-hexane 3788.95
    ethylene glycol 20.15
    NMP 1081.58
    cyclohexane 4772.82
    DMSO 962.5
    n-butyl acetate 4052.35
    n-octanol 560.75
    chloroform 2806.03
    n-propyl acetate 1235.93
    acetic acid 211.44
    dichloromethane 2600.22
    cyclohexanone 2611.9
    propylene glycol 60.51
    isopropyl acetate 1269.9
    DMAc 647.45
    2-ethoxyethanol 396.33
    isopentanol 799.9
    n-heptane 4888.68
    ethyl formate 381.57
    1,2-dichloroethane 2290.44
    n-hexanol 1552.07
    2-methoxyethanol 480.24
    isobutyl acetate 929.43
    tetrachloromethane 921.3
    n-pentyl acetate 1195.55
    transcutol 2321.2
    n-heptanol 523.68
    ethylbenzene 966.47
    MIBK 1199.71
    2-propoxyethanol 1201.18
    tert-butanol 977.06
    MTBE 2863.25
    2-butoxyethanol 572.84
    propionic acid 274.65
    o-xylene 887.76
    formic acid 13.86
    diethyl ether 3791.84
    m-xylene 1003.27
    p-xylene 1040.43
    chlorobenzene 1139.04
    dimethyl carbonate 200.03
    n-octane 1026.36
    formamide 27.57
    cyclopentanone 2299.04
    2-pentanone 1789.34
    anisole 958.55
    cyclopentyl methyl ether 3392.35
    gamma-butyrolactone 1458.35
    1-methoxy-2-propanol 573.1
    pyridine 1847.5
    3-pentanone 1403.47
    furfural 849.42
    n-dodecane 361.43
    diethylene glycol 270.75
    diisopropyl ether 1652.51
    tert-amyl alcohol 1033.77
    acetylacetone 1141.78
    n-hexadecane 441.43
    acetophenone 648.4
    methyl propionate 813.66
    isopentyl acetate 2816.43
    trichloroethylene 2718.28
    n-nonanol 555.45
    cyclohexanol 1274.64
    benzyl alcohol 357.91
    2-ethylhexanol 2045.6
    isooctanol 557.57
    dipropyl ether 6669.6
    1,2-dichlorobenzene 1062.62
    ethyl lactate 228.86
    propylene carbonate 878.94
    n-methylformamide 152.03
    2-pentanol 884.27
    n-pentane 2088.33
    1-propoxy-2-propanol 1613.06
    1-methoxy-2-propyl acetate 1538.14
    2-(2-methoxypropoxy) propanol 586.97
    mesitylene 791.51
    ε-caprolactone 1725.72
    p-cymene 1044.88
    epichlorohydrin 1998.65
    1,1,1-trichloroethane 2876.64
    2-aminoethanol 67.22
    morpholine-4-carbaldehyde 881.55
    sulfolane 1772.18
    2,2,4-trimethylpentane 710.73
    2-methyltetrahydrofuran 4449.03
    n-hexyl acetate 1396.17
    isooctane 648.72
    2-(2-butoxyethoxy)ethanol 816.79
    sec-butyl acetate 1025.77
    tert-butyl acetate 1585.1
    decalin 1404.18
    glycerin 68.46
    diglyme 1626.0
    acrylic acid 157.18
    isopropyl myristate 743.4
    n-butyric acid 797.17
    acetyl acetate 691.98
    di(2-ethylhexyl) phthalate 356.86
    ethyl propionate 1141.46
    nitromethane 365.54
    1,2-diethoxyethane 3347.83
    benzonitrile 627.26
    trioctyl phosphate 323.23
    1-bromopropane 3632.0
    gamma-valerolactone 1550.25
    n-decanol 431.73
    triethyl phosphate 706.82
    4-methyl-2-pentanol 589.96
    propionitrile 732.18
    vinylene carbonate 541.5
    1,1,2-trichlorotrifluoroethane 750.08
    DMS 555.55
    cumene 610.34
    2-octanol 478.79
    2-hexanone 1637.85
    octyl acetate 727.74
    limonene 2486.4
    1,2-dimethoxyethane 1646.48
    ethyl orthosilicate 847.88
    tributyl phosphate 482.2
    diacetone alcohol 872.51
    N,N-dimethylaniline 706.76
    acrylonitrile 490.25
    aniline 709.59
    1,3-propanediol 169.4
    bromobenzene 1738.97
    dibromomethane 2653.4
    1,1,2,2-tetrachloroethane 2673.53
    2-methyl-cyclohexyl acetate 1431.88
    tetrabutyl urea 641.41
    diisobutyl methanol 1322.89
    2-phenylethanol 684.85
    styrene 1138.95
    dioctyl adipate 781.02
    dimethyl sulfate 309.32
    ethyl butyrate 2699.31
    methyl lactate 165.23
    butyl lactate 483.62
    diethyl carbonate 1154.82
    propanediol butyl ether 307.49
    triethyl orthoformate 1764.43
    p-tert-butyltoluene 1029.37
    methyl 4-tert-butylbenzoate 594.03
    morpholine 2425.77
    tert-butylamine 1222.89
    n-dodecanol 376.31
    dimethoxymethane 841.72
    ethylene carbonate 587.23
    cyrene 377.61
    2-ethoxyethyl acetate 975.55
    2-ethylhexyl acetate 2822.04
    1,2,4-trichlorobenzene 1087.17
    4-methylpyridine 1674.01
    dibutyl ether 3480.97
    2,6-dimethyl-4-heptanol 1322.89
    DEF 1549.8
    dimethyl isosorbide 1289.42
    tetrachloroethylene 1637.72
    eugenol 421.33
    triacetin 694.54
    span 80 668.19
    1,4-butanediol 61.64
    1,1-dichloroethane 2243.5
    2-methyl-1-pentanol 649.11
    methyl formate 125.81
    2-methyl-1-butanol 727.22
    n-decane 778.44
    butyronitrile 1168.63
    3,7-dimethyl-1-octanol 900.51
    1-chlorooctane 1399.51
    1-chlorotetradecane 526.32
    n-nonane 982.63
    undecane 502.06
    tert-butylcyclohexane 1092.96
    cyclooctane 1957.15
    cyclopentanol 887.4
    tetrahydropyran 5174.22
    tert-amyl methyl ether 2277.94
    2,5,8-trioxanonane 989.9
    1-hexene 4467.0
    2-isopropoxyethanol 441.05
    2,2,2-trifluoroethanol 43.92
    methyl butyrate 1314.3

    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