4-Methylhexadecane

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  • Identifiers

    CAS number
    25117-26-4

    Molecular formula
    C17H36

    SMILES
    CCCCCCCCCCCCC(C)CCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 77.2%
    Oily 33.51%
    Fatty 31.67%
    Sweet 24.69%
    Gassy 22.68%
    Odorless 19.98%
    Fishy 19.63%
    Meaty 17.45%
    Burnt 15.97%
    Clean 15.62%

     

    Flavor
    Alkane 60.62%
    Waxy 42.53%
    Bland 23.51%
    Delicate 22.85%
    Mild 22.73%
    Slightly waxy 21.94%
    Incense 20.83%
    Citrus peel 20.75%
    Grapefruit peel 20.39%
    Leathery 20.02%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.1

    pKa est.
    8.41 (weak base)

    Molecular weight
    240.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Flash point

    • 129.91 ˚C est.

  • Synonyms

    • 4-Methylhexadecane
    • 25117-26-4
    • DTXSID40947980
    • RefChem:1071171
    • DTXCID001376228
    • Hexadecane, 4-methyl-
    • 4-methyl-hexadecane
    • 4-Methylhexadecane #
    • SCHEMBL102043
    • SCHEMBL102916
    • SCHEMBL346189
    • SCHEMBL652603
    • SCHEMBL5984985
    • SCHEMBL9626011
    • SCHEMBL10497894
    • LMFA11000431
    • DB-046630
    • 25117-26-4

  • Applications

    4-Methylhexadecane (CAS 25117-26-4) is a branched long-chain alkane primarily used as a paraffinic solvent and diluent in industrial formulations. Real-world applications include: serving as a solvent/diluent for coatings, inks, and adhesives; as a carrier oil and emollient in cosmetics and personal care; as a paraffinic solvent in cleaning and household products; as a base oil in industrial lubricants and metalworking fluids; and as a processing aid or additive for polymers to adjust rheology and physical properties. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 863.93
    methanol 255.7
    isopropanol 1489.82
    water 0.0
    ethyl acetate 6137.08
    n-propanol 1402.8
    acetone 4048.79
    n-butanol 2238.05
    acetonitrile 862.63
    DMF 1529.58
    toluene 3854.64
    isobutanol 1577.86
    1,4-dioxane 6497.91
    methyl acetate 2506.61
    THF 15270.51
    2-butanone 4780.9
    n-pentanol 1607.03
    sec-butanol 2168.14
    n-hexane 7815.48
    ethylene glycol 17.17
    NMP 2507.14
    cyclohexane 16992.0
    DMSO 2009.97
    n-butyl acetate 14872.95
    n-octanol 1715.97
    chloroform 6214.2
    n-propyl acetate 5606.66
    acetic acid 406.01
    dichloromethane 6461.07
    cyclohexanone 10690.43
    propylene glycol 77.87
    isopropyl acetate 6263.13
    DMAc 2048.64
    2-ethoxyethanol 1171.5
    isopentanol 3215.34
    n-heptane 14198.71
    ethyl formate 1306.3
    1,2-dichloroethane 6290.32
    n-hexanol 3926.5
    2-methoxyethanol 1215.02
    isobutyl acetate 4522.0
    tetrachloromethane 2497.6
    n-pentyl acetate 5857.47
    transcutol 7330.43
    n-heptanol 1837.55
    ethylbenzene 2208.71
    MIBK 5497.69
    2-propoxyethanol 3009.08
    tert-butanol 3620.76
    MTBE 10906.88
    2-butoxyethanol 2067.59
    propionic acid 673.13
    o-xylene 2372.36
    formic acid 16.25
    diethyl ether 11986.65
    m-xylene 2466.43
    p-xylene 2782.84
    chlorobenzene 2835.95
    dimethyl carbonate 505.49
    n-octane 2858.62
    formamide 43.3
    cyclopentanone 7443.7
    2-pentanone 7131.87
    anisole 2606.32
    cyclopentyl methyl ether 11537.98
    gamma-butyrolactone 4259.45
    1-methoxy-2-propanol 1637.84
    pyridine 4516.34
    3-pentanone 5125.14
    furfural 1992.96
    n-dodecane 853.65
    diethylene glycol 487.66
    diisopropyl ether 6975.94
    tert-amyl alcohol 3609.5
    acetylacetone 4267.17
    n-hexadecane 1068.69
    acetophenone 1993.04
    methyl propionate 2786.87
    isopentyl acetate 13070.47
    trichloroethylene 6299.4
    n-nonanol 1815.95
    cyclohexanol 4378.45
    benzyl alcohol 860.47
    2-ethylhexanol 6174.41
    isooctanol 2280.92
    dipropyl ether 24619.15
    1,2-dichlorobenzene 2640.85
    ethyl lactate 753.04
    propylene carbonate 2659.05
    n-methylformamide 363.02
    2-pentanol 2813.33
    n-pentane 5073.9
    1-propoxy-2-propanol 5105.81
    1-methoxy-2-propyl acetate 6078.2
    2-(2-methoxypropoxy) propanol 1646.31
    mesitylene 2232.56
    ε-caprolactone 6628.91
    p-cymene 3222.11
    epichlorohydrin 5872.14
    1,1,1-trichloroethane 8369.65
    2-aminoethanol 98.87
    morpholine-4-carbaldehyde 2479.65
    sulfolane 4579.74
    2,2,4-trimethylpentane 1976.03
    2-methyltetrahydrofuran 14622.76
    n-hexyl acetate 5496.29
    isooctane 1851.43
    2-(2-butoxyethoxy)ethanol 2387.75
    sec-butyl acetate 5406.07
    tert-butyl acetate 8351.9
    decalin 3410.76
    glycerin 90.58
    diglyme 5892.02
    acrylic acid 259.32
    isopropyl myristate 2879.19
    n-butyric acid 2662.82
    acetyl acetate 2509.25
    di(2-ethylhexyl) phthalate 917.84
    ethyl propionate 4848.5
    nitromethane 902.65
    1,2-diethoxyethane 12038.4
    benzonitrile 1585.89
    trioctyl phosphate 1033.36
    1-bromopropane 9362.44
    gamma-valerolactone 5530.04
    n-decanol 1318.42
    triethyl phosphate 2798.34
    4-methyl-2-pentanol 2246.07
    propionitrile 1750.48
    vinylene carbonate 1424.76
    1,1,2-trichlorotrifluoroethane 1766.11
    DMS 1693.24
    cumene 1616.97
    2-octanol 1787.91
    2-hexanone 6057.38
    octyl acetate 2573.71
    limonene 8087.96
    1,2-dimethoxyethane 6128.78
    ethyl orthosilicate 3468.33
    tributyl phosphate 1496.83
    diacetone alcohol 3635.47
    N,N-dimethylaniline 1963.71
    acrylonitrile 949.92
    aniline 1862.74
    1,3-propanediol 378.21
    bromobenzene 4057.88
    dibromomethane 6309.61
    1,1,2,2-tetrachloroethane 6853.51
    2-methyl-cyclohexyl acetate 5400.68
    tetrabutyl urea 2010.57
    diisobutyl methanol 5100.55
    2-phenylethanol 1576.24
    styrene 2406.33
    dioctyl adipate 2582.24
    dimethyl sulfate 751.38
    ethyl butyrate 12419.4
    methyl lactate 439.05
    butyl lactate 1875.44
    diethyl carbonate 4892.28
    propanediol butyl ether 848.72
    triethyl orthoformate 8516.38
    p-tert-butyltoluene 3296.35
    methyl 4-tert-butylbenzoate 2120.48
    morpholine 7447.67
    tert-butylamine 4151.37
    n-dodecanol 1087.28
    dimethoxymethane 2445.42
    ethylene carbonate 1902.55
    cyrene 877.08
    2-ethoxyethyl acetate 3995.63
    2-ethylhexyl acetate 11970.57
    1,2,4-trichlorobenzene 2633.33
    4-methylpyridine 4712.97
    dibutyl ether 13254.38
    2,6-dimethyl-4-heptanol 5100.55
    DEF 5318.5
    dimethyl isosorbide 3424.18
    tetrachloroethylene 3886.12
    eugenol 1144.02
    triacetin 2592.83
    span 80 1667.97
    1,4-butanediol 128.91
    1,1-dichloroethane 6476.57
    2-methyl-1-pentanol 2235.06
    methyl formate 285.26
    2-methyl-1-butanol 2528.3
    n-decane 2130.13
    butyronitrile 3403.63
    3,7-dimethyl-1-octanol 3157.81
    1-chlorooctane 4327.97
    1-chlorotetradecane 1398.23
    n-nonane 2606.93
    undecane 1230.07
    tert-butylcyclohexane 2796.16
    cyclooctane 5568.26
    cyclopentanol 2973.28
    tetrahydropyran 18562.84
    tert-amyl methyl ether 7666.43
    2,5,8-trioxanonane 2889.7
    1-hexene 9369.83
    2-isopropoxyethanol 1435.42
    2,2,2-trifluoroethanol 98.8
    methyl butyrate 5968.08

    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