5-Methylhexadecane

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  • Identifiers

    CAS number
    25117-34-4

    Molecular formula
    C17H36

    SMILES
    CCCCCCCCCCCC(C)CCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 75.19%
    Oily 32.84%
    Fatty 30.45%
    Sweet 26.72%
    Gassy 25.18%
    Odorless 19.21%
    Fishy 18.93%
    Meaty 17.41%
    Clean 15.74%
    Burnt 15.67%

     

    Flavor
    Alkane 64.4%
    Waxy 45.22%
    Bland 23.57%
    Mild 23.34%
    Delicate 22.68%
    Slightly waxy 22.06%
    Incense 21.13%
    Citrus peel 21.07%
    Grapefruit peel 20.51%
    Coumarinic 20.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.1

    pKa est.
    8.4 (weak base)

    Molecular weight
    240.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    293°C

    Flash point

    • 129.17 ˚C est.

  • Synonyms

    • 5-methylhexadecane
    • Hexadecane, 5-methyl
    • 25117-34-4
    • 5-methyl-hexadecane
    • SCHEMBL99749
    • SCHEMBL202313
    • SCHEMBL1645334
    • SCHEMBL3198996
    • SCHEMBL5984195
    • SCHEMBL7104064
    • SCHEMBL28153752
    • DTXSID501367294
    • 25117-34-4

  • Applications

    5-Methylhexadecane (CAS 25117-34-4) is a branched C17 aliphatic hydrocarbon with a high boiling point and is typically used as a nonpolar solvent and diluent in a range of industrial formulations. In practice, it can serve as a component solvent in coatings, inks, and adhesives where low polarity and solvency for hydrocarbon-soluble species are desirable; as a processing oil or base oil in industrial lubricants and metalworking fluids; as a carrier oil or emollient in cosmetics and personal care formulations; as a diluent in fragrance and perfumery concentrates; as a cleaning solvent for manufacturing equipment and maintenance; and as a solvent or processing aid in polymer processing under certain conditions. Its use is typically governed by material compatibility and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 585.41
    methanol 162.32
    isopropanol 1073.02
    water 0.0
    ethyl acetate 4882.84
    n-propanol 1005.57
    acetone 3025.72
    n-butanol 1642.85
    acetonitrile 641.45
    DMF 1239.38
    toluene 3232.96
    isobutanol 1168.05
    1,4-dioxane 5270.34
    methyl acetate 1987.83
    THF 12361.34
    2-butanone 3774.23
    n-pentanol 1189.45
    sec-butanol 1645.51
    n-hexane 6190.3
    ethylene glycol 13.37
    NMP 2138.87
    cyclohexane 13511.96
    DMSO 1595.98
    n-butyl acetate 11959.43
    n-octanol 1465.05
    chloroform 5293.06
    n-propyl acetate 4525.48
    acetic acid 302.51
    dichloromethane 5349.96
    cyclohexanone 8605.89
    propylene glycol 63.4
    isopropyl acetate 5104.33
    DMAc 1729.74
    2-ethoxyethanol 886.23
    isopentanol 2462.57
    n-heptane 11717.09
    ethyl formate 1021.47
    1,2-dichloroethane 5211.28
    n-hexanol 3032.29
    2-methoxyethanol 882.35
    isobutyl acetate 3745.66
    tetrachloromethane 2113.86
    n-pentyl acetate 4876.1
    transcutol 6024.72
    n-heptanol 1524.25
    ethylbenzene 1974.52
    MIBK 4528.14
    2-propoxyethanol 2373.03
    tert-butanol 2785.55
    MTBE 8627.51
    2-butoxyethanol 1697.29
    propionic acid 525.92
    o-xylene 2113.08
    formic acid 11.55
    diethyl ether 8932.74
    m-xylene 2154.7
    p-xylene 2473.63
    chlorobenzene 2468.5
    dimethyl carbonate 451.23
    n-octane 2485.08
    formamide 30.92
    cyclopentanone 6173.74
    2-pentanone 5571.06
    anisole 2332.22
    cyclopentyl methyl ether 9273.19
    gamma-butyrolactone 3550.16
    1-methoxy-2-propanol 1296.45
    pyridine 3748.99
    3-pentanone 4199.6
    furfural 1748.16
    n-dodecane 776.06
    diethylene glycol 392.86
    diisopropyl ether 5546.88
    tert-amyl alcohol 2853.52
    acetylacetone 3611.62
    n-hexadecane 968.76
    acetophenone 1804.0
    methyl propionate 2275.26
    isopentyl acetate 10716.13
    trichloroethylene 5522.1
    n-nonanol 1551.69
    cyclohexanol 3443.65
    benzyl alcohol 741.75
    2-ethylhexanol 5009.54
    isooctanol 1920.48
    dipropyl ether 19705.06
    1,2-dichlorobenzene 2372.51
    ethyl lactate 657.84
    propylene carbonate 2341.29
    n-methylformamide 269.06
    2-pentanol 2179.63
    n-pentane 3901.01
    1-propoxy-2-propanol 4187.24
    1-methoxy-2-propyl acetate 5115.26
    2-(2-methoxypropoxy) propanol 1466.75
    mesitylene 1971.22
    ε-caprolactone 5470.94
    p-cymene 2850.46
    epichlorohydrin 4945.92
    1,1,1-trichloroethane 7157.69
    2-aminoethanol 75.11
    morpholine-4-carbaldehyde 2068.19
    sulfolane 4064.09
    2,2,4-trimethylpentane 1640.7
    2-methyltetrahydrofuran 11731.77
    n-hexyl acetate 4605.9
    isooctane 1541.78
    2-(2-butoxyethoxy)ethanol 2073.79
    sec-butyl acetate 4440.85
    tert-butyl acetate 6973.27
    decalin 2973.15
    glycerin 73.98
    diglyme 5091.99
    acrylic acid 211.79
    isopropyl myristate 2588.91
    n-butyric acid 2049.13
    acetyl acetate 2107.01
    di(2-ethylhexyl) phthalate 840.82
    ethyl propionate 4084.7
    nitromethane 699.64
    1,2-diethoxyethane 9725.57
    benzonitrile 1373.47
    trioctyl phosphate 931.28
    1-bromopropane 7715.15
    gamma-valerolactone 4489.78
    n-decanol 1140.68
    triethyl phosphate 2481.52
    4-methyl-2-pentanol 1820.57
    propionitrile 1358.88
    vinylene carbonate 1239.33
    1,1,2-trichlorotrifluoroethane 1519.37
    DMS 1530.47
    cumene 1462.51
    2-octanol 1538.03
    2-hexanone 4833.52
    octyl acetate 2297.64
    limonene 6880.35
    1,2-dimethoxyethane 4907.99
    ethyl orthosilicate 2994.15
    tributyl phosphate 1329.53
    diacetone alcohol 3074.2
    N,N-dimethylaniline 1769.33
    acrylonitrile 757.61
    aniline 1551.7
    1,3-propanediol 282.63
    bromobenzene 3569.26
    dibromomethane 5153.03
    1,1,2,2-tetrachloroethane 6034.23
    2-methyl-cyclohexyl acetate 4664.69
    tetrabutyl urea 1791.82
    diisobutyl methanol 4277.45
    2-phenylethanol 1322.32
    styrene 2137.16
    dioctyl adipate 2366.76
    dimethyl sulfate 683.44
    ethyl butyrate 10427.58
    methyl lactate 377.01
    butyl lactate 1623.68
    diethyl carbonate 4270.73
    propanediol butyl ether 744.39
    triethyl orthoformate 7196.72
    p-tert-butyltoluene 2930.78
    methyl 4-tert-butylbenzoate 1954.85
    morpholine 5799.06
    tert-butylamine 3197.25
    n-dodecanol 945.6
    dimethoxymethane 1936.9
    ethylene carbonate 1647.63
    cyrene 806.86
    2-ethoxyethyl acetate 3381.49
    2-ethylhexyl acetate 9819.26
    1,2,4-trichlorobenzene 2384.12
    4-methylpyridine 3892.15
    dibutyl ether 11026.55
    2,6-dimethyl-4-heptanol 4277.45
    DEF 4303.54
    dimethyl isosorbide 3092.52
    tetrachloroethylene 3326.92
    eugenol 1058.56
    triacetin 2375.29
    span 80 1495.68
    1,4-butanediol 100.94
    1,1-dichloroethane 5325.04
    2-methyl-1-pentanol 1739.16
    methyl formate 225.44
    2-methyl-1-butanol 1933.96
    n-decane 1880.23
    butyronitrile 2614.35
    3,7-dimethyl-1-octanol 2686.99
    1-chlorooctane 3835.69
    1-chlorotetradecane 1270.16
    n-nonane 2286.54
    undecane 1108.0
    tert-butylcyclohexane 2450.52
    cyclooctane 4673.5
    cyclopentanol 2393.66
    tetrahydropyran 14544.94
    tert-amyl methyl ether 6167.7
    2,5,8-trioxanonane 2575.17
    1-hexene 7247.04
    2-isopropoxyethanol 1149.14
    2,2,2-trifluoroethanol 78.44
    methyl butyrate 4980.83

    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