Heptadec-7-ene

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  • Identifiers

    CAS number
    54290-12-9

    Molecular formula
    C17H34

    SMILES
    CCCCCCCCCC=CCCCCCC

  • Odor profile

    Fragrance
    Waxy 65.91%
    Fatty 38.07%
    Oily 36.09%
    Gassy 29.91%
    Sweet 23.81%
    Fishy 19.66%
    Meaty 18.64%
    Odorless 17.78%
    Citrus 14.77%
    Savory 14.68%

     

    Flavor
    Alkane 45.82%
    Waxy 28.29%
    Delicate 19.79%
    Slightly waxy 19.52%
    Diterpene 18.91%
    Low 18.88%
    Incense 18.75%
    Oriental 18.74%
    Citrus peel 18.53%
    Skunky 18.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.5

    pKa est.
    8.14 (weak base)

    Molecular weight
    238.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    296°C

    Flash point

    • 136.13 ˚C est.

  • Synonyms

    • 54290-12-9
    • heptadec-7-ene
    • 7-heptadecane
    • DTXSID30335392
    • DB-264090

  • Applications

    Chemical name: Heptadec-7-ene; CAS number: 54290-12-9 is a long-chain internal olefin that serves as a versatile chemical intermediate. In fragrance and flavor chemistry it is used as a building block for more complex aroma compounds. It can be selectively transformed (e.g., by oxidation, hydrofunctionalization, epoxidation or hydroformylation) to give functionalized products such as alcohols, aldehydes or carboxylic acids for downstream use. It is also employed as a starting material or co-monomer in specialty polymers, waxes and coating formulations. With appropriate functionalization it can contribute to lubricants and surfactant systems as a scaffold for longer alkyl chains. In research and development, it may be evaluated for use as a fragrance component or fixative in cosmetic and personal care formulations, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 335.91
    methanol 105.97
    isopropanol 571.15
    water 0.0
    ethyl acetate 3007.34
    n-propanol 544.99
    acetone 1735.67
    n-butanol 903.62
    acetonitrile 355.72
    DMF 700.94
    toluene 2318.62
    isobutanol 608.09
    1,4-dioxane 3229.32
    methyl acetate 1135.65
    THF 7637.92
    2-butanone 2270.33
    n-pentanol 680.79
    sec-butanol 913.56
    n-hexane 4503.65
    ethylene glycol 8.54
    NMP 1305.34
    cyclohexane 10237.19
    DMSO 1166.35
    n-butyl acetate 6906.37
    n-octanol 876.4
    chloroform 3419.24
    n-propyl acetate 2631.3
    acetic acid 189.02
    dichloromethane 3596.42
    cyclohexanone 4833.67
    propylene glycol 37.99
    isopropyl acetate 3055.42
    DMAc 1110.16
    2-ethoxyethanol 539.87
    isopentanol 1364.02
    n-heptane 8343.78
    ethyl formate 544.8
    1,2-dichloroethane 3663.8
    n-hexanol 1616.39
    2-methoxyethanol 518.31
    isobutyl acetate 2200.66
    tetrachloromethane 1334.33
    n-pentyl acetate 2948.05
    transcutol 4145.31
    n-heptanol 819.13
    ethylbenzene 1520.94
    MIBK 2868.83
    2-propoxyethanol 1347.33
    tert-butanol 1509.33
    MTBE 5267.25
    2-butoxyethanol 949.45
    propionic acid 293.16
    o-xylene 1549.56
    formic acid 7.92
    diethyl ether 6273.61
    m-xylene 1549.92
    p-xylene 1767.23
    chlorobenzene 1555.41
    dimethyl carbonate 277.24
    n-octane 1716.71
    formamide 20.1
    cyclopentanone 3483.49
    2-pentanone 3416.79
    anisole 1603.37
    cyclopentyl methyl ether 6046.65
    gamma-butyrolactone 1979.62
    1-methoxy-2-propanol 781.6
    pyridine 2444.57
    3-pentanone 2660.43
    furfural 1011.5
    n-dodecane 542.39
    diethylene glycol 232.47
    diisopropyl ether 3789.21
    tert-amyl alcohol 1625.83
    acetylacetone 2279.97
    n-hexadecane 672.18
    acetophenone 1243.08
    methyl propionate 1368.08
    isopentyl acetate 5972.65
    trichloroethylene 3917.53
    n-nonanol 937.64
    cyclohexanol 1974.27
    benzyl alcohol 470.88
    2-ethylhexanol 2850.88
    isooctanol 1054.01
    dipropyl ether 12737.39
    1,2-dichlorobenzene 1585.17
    ethyl lactate 393.68
    propylene carbonate 1246.21
    n-methylformamide 143.51
    2-pentanol 1327.04
    n-pentane 2847.1
    1-propoxy-2-propanol 2308.75
    1-methoxy-2-propyl acetate 3053.07
    2-(2-methoxypropoxy) propanol 951.99
    mesitylene 1379.89
    ε-caprolactone 3181.36
    p-cymene 1974.03
    epichlorohydrin 3043.67
    1,1,1-trichloroethane 4543.95
    2-aminoethanol 43.79
    morpholine-4-carbaldehyde 1241.99
    sulfolane 2428.26
    2,2,4-trimethylpentane 1112.39
    2-methyltetrahydrofuran 7272.84
    n-hexyl acetate 2919.42
    isooctane 1059.27
    2-(2-butoxyethoxy)ethanol 1309.53
    sec-butyl acetate 2734.15
    tert-butyl acetate 4377.14
    decalin 2273.83
    glycerin 48.92
    diglyme 3335.61
    acrylic acid 125.06
    isopropyl myristate 1593.14
    n-butyric acid 1162.79
    acetyl acetate 1316.29
    di(2-ethylhexyl) phthalate 548.5
    ethyl propionate 2485.35
    nitromethane 410.04
    1,2-diethoxyethane 6964.87
    benzonitrile 780.0
    trioctyl phosphate 559.72
    1-bromopropane 5427.23
    gamma-valerolactone 2547.18
    n-decanol 691.65
    triethyl phosphate 1534.78
    4-methyl-2-pentanol 1063.07
    propionitrile 712.0
    vinylene carbonate 682.65
    1,1,2-trichlorotrifluoroethane 975.21
    DMS 980.22
    cumene 1082.03
    2-octanol 863.64
    2-hexanone 2928.49
    octyl acetate 1437.37
    limonene 4638.49
    1,2-dimethoxyethane 2888.64
    ethyl orthosilicate 1902.58
    tributyl phosphate 829.44
    diacetone alcohol 1851.43
    N,N-dimethylaniline 1279.61
    acrylonitrile 405.29
    aniline 919.88
    1,3-propanediol 158.51
    bromobenzene 2376.27
    dibromomethane 3515.55
    1,1,2,2-tetrachloroethane 4136.68
    2-methyl-cyclohexyl acetate 2908.74
    tetrabutyl urea 1141.63
    diisobutyl methanol 2683.97
    2-phenylethanol 818.85
    styrene 1616.34
    dioctyl adipate 1523.64
    dimethyl sulfate 437.35
    ethyl butyrate 6200.02
    methyl lactate 217.97
    butyl lactate 914.58
    diethyl carbonate 2451.41
    propanediol butyl ether 435.62
    triethyl orthoformate 4283.3
    p-tert-butyltoluene 1911.59
    methyl 4-tert-butylbenzoate 1224.76
    morpholine 3541.76
    tert-butylamine 1832.94
    n-dodecanol 588.01
    dimethoxymethane 1257.97
    ethylene carbonate 861.8
    cyrene 548.94
    2-ethoxyethyl acetate 2233.55
    2-ethylhexyl acetate 5595.39
    1,2,4-trichlorobenzene 1585.46
    4-methylpyridine 2469.88
    dibutyl ether 7457.55
    2,6-dimethyl-4-heptanol 2683.97
    DEF 2736.95
    dimethyl isosorbide 2072.61
    tetrachloroethylene 2338.4
    eugenol 663.06
    triacetin 1503.85
    span 80 967.61
    1,4-butanediol 57.91
    1,1-dichloroethane 3436.42
    2-methyl-1-pentanol 1004.0
    methyl formate 119.73
    2-methyl-1-butanol 1046.78
    n-decane 1289.2
    butyronitrile 1411.85
    3,7-dimethyl-1-octanol 1609.39
    1-chlorooctane 2412.33
    1-chlorotetradecane 843.82
    n-nonane 1560.06
    undecane 774.77
    tert-butylcyclohexane 1781.71
    cyclooctane 3708.69
    cyclopentanol 1255.8
    tetrahydropyran 9357.67
    tert-amyl methyl ether 4088.91
    2,5,8-trioxanonane 1770.74
    1-hexene 4951.79
    2-isopropoxyethanol 694.27
    2,2,2-trifluoroethanol 44.81
    methyl butyrate 2886.8

    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