Isohexadecene

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  • Identifiers

    CAS number
    85909-49-5

    Molecular formula
    C16H32

    SMILES
    CC(C)CCCCCCCCCCCC=C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 64.22%
    Fatty 39.11%
    Oily 35.71%
    Sweet 33.6%
    Gassy 28.62%
    Citrus 26.34%
    Meaty 24.22%
    Fishy 24.15%
    Fresh 22.49%
    Herbal 20.89%

     

    Flavor
    Alkane 29.81%
    Waxy 29.07%
    Delicate 22.44%
    Slightly waxy 20.68%
    Low 20.66%
    Diterpene 20.55%
    Oriental 19.81%
    Incense 19.78%
    Grapefruit peel 19.78%
    Coumarinic 19.52%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    8.1

    pKa est.
    7.84 (neutral)

    Molecular weight
    224.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    275°C

    Flash point

    • 123.32 ˚C est.

  • Synonyms

    • Isohexadecene
    • 85909-49-5
    • EINECS 288-853-7
    • RefChem:791878
    • EC 288-853-7
    • 288-853-7
    • 14-METHYLPENTADEC-1-ENE
    • SCHEMBL104256
    • SCHEMBL387225
    • YKGRKSWSVPZYER-UHFFFAOYSA-N
    • DTXSID101006503
    • NS00006461
    • 85909-49-5

  • Applications

    Isohexadecene (CAS 85909-49-5) is a branched long-chain olefin commonly used as a monomer or reactive diluent in UV-curable coatings and inks, enabling lower viscosity and tailored film properties. It also serves as an intermediate in the synthesis of specialty polymers, adding hydrocarbon character to polymer backbones. In industrial formulations, it may function as a nonpolar solvent or processing aid in various blends and products. It is considered for use in adhesives and cleaning formulations as a solvent or co-solvent, and in cosmetics/personal care it may be employed as a solvent or carrier in certain formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 744.73
    methanol 200.68
    isopropanol 1238.44
    water 0.0
    ethyl acetate 3783.08
    n-propanol 1071.88
    acetone 2377.09
    n-butanol 1657.75
    acetonitrile 458.12
    DMF 802.58
    toluene 2523.23
    isobutanol 1143.85
    1,4-dioxane 4023.33
    methyl acetate 1477.61
    THF 10135.19
    2-butanone 3049.81
    n-pentanol 1292.39
    sec-butanol 1767.04
    n-hexane 5986.8
    ethylene glycol 13.23
    NMP 1219.28
    cyclohexane 10228.63
    DMSO 1247.95
    n-butyl acetate 9073.45
    n-octanol 1274.94
    chloroform 3610.28
    n-propyl acetate 3261.8
    acetic acid 235.01
    dichloromethane 3633.49
    cyclohexanone 5447.83
    propylene glycol 68.85
    isopropyl acetate 3847.53
    DMAc 1144.78
    2-ethoxyethanol 872.24
    isopentanol 2323.59
    n-heptane 9768.58
    ethyl formate 680.58
    1,2-dichloroethane 3463.35
    n-hexanol 3103.21
    2-methoxyethanol 840.17
    isobutyl acetate 2656.09
    tetrachloromethane 1265.73
    n-pentyl acetate 3300.27
    transcutol 5708.14
    n-heptanol 1266.33
    ethylbenzene 1596.14
    MIBK 3517.74
    2-propoxyethanol 2256.95
    tert-butanol 2867.79
    MTBE 8339.47
    2-butoxyethanol 1370.41
    propionic acid 382.43
    o-xylene 1565.23
    formic acid 10.16
    diethyl ether 8210.8
    m-xylene 1732.27
    p-xylene 1825.51
    chlorobenzene 1565.64
    dimethyl carbonate 274.21
    n-octane 1950.7
    formamide 24.17
    cyclopentanone 3835.99
    2-pentanone 4386.5
    anisole 1678.3
    cyclopentyl methyl ether 7234.33
    gamma-butyrolactone 2121.94
    1-methoxy-2-propanol 1243.8
    pyridine 2572.9
    3-pentanone 2996.96
    furfural 1064.17
    n-dodecane 625.47
    diethylene glycol 374.21
    diisopropyl ether 4786.4
    tert-amyl alcohol 2803.55
    acetylacetone 2575.35
    n-hexadecane 771.25
    acetophenone 1194.33
    methyl propionate 1643.09
    isopentyl acetate 7946.65
    trichloroethylene 3560.7
    n-nonanol 1308.78
    cyclohexanol 2809.15
    benzyl alcohol 579.98
    2-ethylhexanol 4444.1
    isooctanol 1526.7
    dipropyl ether 15866.76
    1,2-dichlorobenzene 1440.04
    ethyl lactate 454.58
    propylene carbonate 1369.11
    n-methylformamide 186.58
    2-pentanol 2302.79
    n-pentane 3743.98
    1-propoxy-2-propanol 3729.3
    1-methoxy-2-propyl acetate 3999.52
    2-(2-methoxypropoxy) propanol 1214.26
    mesitylene 1479.75
    ε-caprolactone 3600.09
    p-cymene 2103.78
    epichlorohydrin 3630.54
    1,1,1-trichloroethane 4458.27
    2-aminoethanol 77.58
    morpholine-4-carbaldehyde 1378.55
    sulfolane 2326.94
    2,2,4-trimethylpentane 1418.85
    2-methyltetrahydrofuran 9429.04
    n-hexyl acetate 3600.82
    isooctane 1437.54
    2-(2-butoxyethoxy)ethanol 1809.59
    sec-butyl acetate 3261.1
    tert-butyl acetate 5276.9
    decalin 2308.55
    glycerin 72.22
    diglyme 3955.31
    acrylic acid 139.31
    isopropyl myristate 1861.76
    n-butyric acid 1580.37
    acetyl acetate 1369.15
    di(2-ethylhexyl) phthalate 616.15
    ethyl propionate 2745.29
    nitromethane 447.02
    1,2-diethoxyethane 8385.11
    benzonitrile 865.64
    trioctyl phosphate 658.43
    1-bromopropane 5863.45
    gamma-valerolactone 2871.13
    n-decanol 958.76
    triethyl phosphate 1531.17
    4-methyl-2-pentanol 1748.7
    propionitrile 981.57
    vinylene carbonate 698.32
    1,1,2-trichlorotrifluoroethane 995.07
    DMS 1011.67
    cumene 1147.77
    2-octanol 1203.75
    2-hexanone 3863.98
    octyl acetate 1657.12
    limonene 5245.9
    1,2-dimethoxyethane 3741.66
    ethyl orthosilicate 1947.53
    tributyl phosphate 913.96
    diacetone alcohol 2469.77
    N,N-dimethylaniline 1257.06
    acrylonitrile 499.23
    aniline 1118.23
    1,3-propanediol 281.02
    bromobenzene 2226.76
    dibromomethane 3603.11
    1,1,2,2-tetrachloroethane 3872.2
    2-methyl-cyclohexyl acetate 3279.98
    tetrabutyl urea 1200.93
    diisobutyl methanol 3478.68
    2-phenylethanol 1149.31
    styrene 1663.73
    dioctyl adipate 1616.62
    dimethyl sulfate 371.81
    ethyl butyrate 7223.74
    methyl lactate 268.22
    butyl lactate 1141.56
    diethyl carbonate 2711.47
    propanediol butyl ether 627.73
    triethyl orthoformate 4968.73
    p-tert-butyltoluene 2151.12
    methyl 4-tert-butylbenzoate 1257.7
    morpholine 4686.42
    tert-butylamine 3212.16
    n-dodecanol 800.95
    dimethoxymethane 1514.37
    ethylene carbonate 912.39
    cyrene 611.47
    2-ethoxyethyl acetate 2583.6
    2-ethylhexyl acetate 7322.37
    1,2,4-trichlorobenzene 1452.57
    4-methylpyridine 2735.3
    dibutyl ether 8901.11
    2,6-dimethyl-4-heptanol 3478.68
    DEF 2898.15
    dimethyl isosorbide 2383.42
    tetrachloroethylene 2131.69
    eugenol 724.17
    triacetin 1591.84
    span 80 1188.96
    1,4-butanediol 96.13
    1,1-dichloroethane 3765.12
    2-methyl-1-pentanol 1709.37
    methyl formate 140.95
    2-methyl-1-butanol 1824.57
    n-decane 1499.04
    butyronitrile 1985.31
    3,7-dimethyl-1-octanol 2281.79
    1-chlorooctane 2916.82
    1-chlorotetradecane 966.7
    n-nonane 1853.4
    undecane 907.54
    tert-butylcyclohexane 1967.51
    cyclooctane 3696.56
    cyclopentanol 1719.87
    tetrahydropyran 11401.21
    tert-amyl methyl ether 5554.98
    2,5,8-trioxanonane 1999.22
    1-hexene 7157.71
    2-isopropoxyethanol 1065.84
    2,2,2-trifluoroethanol 46.77
    methyl butyrate 3264.62

    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