Heptadecadiene

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  • Identifiers

    CAS number
    54264-04-9

    Molecular formula
    C17H32

    SMILES
    CCCCCCCCCCCCC/C=C/C=C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 51.19%
    Fatty 45.74%
    Oily 42.91%
    Herbal 34.73%
    Citrus 34.7%
    Gassy 33.59%
    Sweet 30.44%
    Green 28.77%
    Fishy 25.24%
    Fresh 23.95%

     

    Flavor
    Alkane 21.0%
    Low 19.62%
    Diterpene 19.55%
    Oriental 19.36%
    Delicate 19.35%
    Slightly waxy 18.55%
    Incense 18.28%
    Terpentine 18.17%
    Grapefruit peel 17.94%
    Opoponax 17.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.5

    pKa est.
    7.64 (neutral)

    Molecular weight
    236.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    306°C

    Flash point

    • 139.89 ˚C est.

  • Synonyms

    • Heptadecadiene
    • 54264-04-9
    • (3E)-heptadeca-1,3-diene
    • RefChem:1086416
    • SCHEMBL218135
    • SCHEMBL285543
    • SCHEMBL4610745
    • SCHEMBL7926125
    • SCHEMBL21694648
    • 54264-04-9

  • Applications

    Heptadecadiene is primarily used as a chemical intermediate in the synthesis of specialty polymers and fine chemicals, where it can function as a monomer or comonomer in polymerization to tailor material properties. It can also serve as a non-polar solvent or processing aid in industrial manufacturing. In coatings, inks, and adhesive formulations, it is used as a solvent or processing aid, and may be considered for use in other formulation chemistries under suitable compatibility and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 150.7
    methanol 48.36
    isopropanol 244.37
    water 0.0
    ethyl acetate 1513.07
    n-propanol 235.69
    acetone 824.44
    n-butanol 384.91
    acetonitrile 142.46
    DMF 371.01
    toluene 1165.13
    isobutanol 258.3
    1,4-dioxane 1516.85
    methyl acetate 555.16
    THF 4338.33
    2-butanone 1155.66
    n-pentanol 314.84
    sec-butanol 399.51
    n-hexane 1872.04
    ethylene glycol 3.68
    NMP 750.81
    cyclohexane 4262.54
    DMSO 610.45
    n-butyl acetate 3554.29
    n-octanol 403.25
    chloroform 1680.59
    n-propyl acetate 1338.22
    acetic acid 82.42
    dichloromethane 1855.92
    cyclohexanone 2469.59
    propylene glycol 17.73
    isopropyl acetate 1554.3
    DMAc 613.51
    2-ethoxyethanol 266.27
    isopentanol 597.22
    n-heptane 3656.97
    ethyl formate 258.31
    1,2-dichloroethane 1854.86
    n-hexanol 761.85
    2-methoxyethanol 248.38
    isobutyl acetate 1105.3
    tetrachloromethane 619.45
    n-pentyl acetate 1516.34
    transcutol 2192.39
    n-heptanol 370.51
    ethylbenzene 785.06
    MIBK 1466.46
    2-propoxyethanol 696.45
    tert-butanol 643.54
    MTBE 2409.22
    2-butoxyethanol 454.55
    propionic acid 129.27
    o-xylene 811.73
    formic acid 3.79
    diethyl ether 2811.74
    m-xylene 838.06
    p-xylene 911.03
    chlorobenzene 845.79
    dimethyl carbonate 141.89
    n-octane 741.39
    formamide 9.43
    cyclopentanone 1930.34
    2-pentanone 1698.86
    anisole 858.98
    cyclopentyl methyl ether 3169.09
    gamma-butyrolactone 1134.79
    1-methoxy-2-propanol 387.35
    pyridine 1231.67
    3-pentanone 1342.57
    furfural 590.88
    n-dodecane 233.43
    diethylene glycol 118.6
    diisopropyl ether 1708.15
    tert-amyl alcohol 745.66
    acetylacetone 1220.0
    n-hexadecane 295.46
    acetophenone 711.87
    methyl propionate 698.97
    isopentyl acetate 2982.01
    trichloroethylene 2104.21
    n-nonanol 440.26
    cyclohexanol 867.46
    benzyl alcohol 250.31
    2-ethylhexanol 1362.9
    isooctanol 488.39
    dipropyl ether 6126.59
    1,2-dichlorobenzene 892.43
    ethyl lactate 209.83
    propylene carbonate 708.24
    n-methylformamide 68.52
    2-pentanol 589.07
    n-pentane 1171.33
    1-propoxy-2-propanol 1226.82
    1-methoxy-2-propyl acetate 1757.02
    2-(2-methoxypropoxy) propanol 540.53
    mesitylene 742.7
    ε-caprolactone 1658.8
    p-cymene 1002.3
    epichlorohydrin 1771.67
    1,1,1-trichloroethane 2255.46
    2-aminoethanol 19.32
    morpholine-4-carbaldehyde 642.7
    sulfolane 1472.02
    2,2,4-trimethylpentane 503.46
    2-methyltetrahydrofuran 3796.48
    n-hexyl acetate 1553.46
    isooctane 479.0
    2-(2-butoxyethoxy)ethanol 683.5
    sec-butyl acetate 1389.35
    tert-butyl acetate 2206.36
    decalin 1083.71
    glycerin 23.33
    diglyme 1695.85
    acrylic acid 55.67
    isopropyl myristate 807.08
    n-butyric acid 536.22
    acetyl acetate 645.56
    di(2-ethylhexyl) phthalate 311.99
    ethyl propionate 1262.87
    nitromethane 195.14
    1,2-diethoxyethane 3579.83
    benzonitrile 396.32
    trioctyl phosphate 287.15
    1-bromopropane 2632.98
    gamma-valerolactone 1414.44
    n-decanol 325.54
    triethyl phosphate 815.34
    4-methyl-2-pentanol 491.09
    propionitrile 309.19
    vinylene carbonate 361.41
    1,1,2-trichlorotrifluoroethane 507.71
    DMS 560.02
    cumene 568.93
    2-octanol 393.51
    2-hexanone 1491.24
    octyl acetate 737.39
    limonene 2332.43
    1,2-dimethoxyethane 1384.31
    ethyl orthosilicate 983.77
    tributyl phosphate 430.94
    diacetone alcohol 968.12
    N,N-dimethylaniline 680.82
    acrylonitrile 173.95
    aniline 442.04
    1,3-propanediol 69.57
    bromobenzene 1284.46
    dibromomethane 1740.71
    1,1,2,2-tetrachloroethane 2223.75
    2-methyl-cyclohexyl acetate 1601.38
    tetrabutyl urea 598.37
    diisobutyl methanol 1295.94
    2-phenylethanol 446.84
    styrene 831.78
    dioctyl adipate 852.17
    dimethyl sulfate 241.36
    ethyl butyrate 3091.13
    methyl lactate 115.06
    butyl lactate 498.11
    diethyl carbonate 1236.06
    propanediol butyl ether 223.52
    triethyl orthoformate 2158.73
    p-tert-butyltoluene 978.82
    methyl 4-tert-butylbenzoate 697.53
    morpholine 1660.64
    tert-butylamine 758.83
    n-dodecanol 274.86
    dimethoxymethane 658.72
    ethylene carbonate 435.66
    cyrene 340.67
    2-ethoxyethyl acetate 1207.89
    2-ethylhexyl acetate 2894.28
    1,2,4-trichlorobenzene 900.34
    4-methylpyridine 1285.53
    dibutyl ether 3513.4
    2,6-dimethyl-4-heptanol 1295.94
    DEF 1371.1
    dimethyl isosorbide 1320.26
    tetrachloroethylene 1187.83
    eugenol 376.32
    triacetin 828.28
    span 80 513.26
    1,4-butanediol 26.39
    1,1-dichloroethane 1714.94
    2-methyl-1-pentanol 478.34
    methyl formate 60.23
    2-methyl-1-butanol 463.4
    n-decane 568.99
    butyronitrile 600.26
    3,7-dimethyl-1-octanol 776.18
    1-chlorooctane 1155.6
    1-chlorotetradecane 416.88
    n-nonane 677.69
    undecane 341.1
    tert-butylcyclohexane 830.74
    cyclooctane 1625.57
    cyclopentanol 576.56
    tetrahydropyran 4413.17
    tert-amyl methyl ether 1975.02
    2,5,8-trioxanonane 978.06
    1-hexene 2280.86
    2-isopropoxyethanol 343.83
    2,2,2-trifluoroethanol 20.04
    methyl butyrate 1464.22

    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