3-Methylhexadecane

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  • Identifiers

    CAS number
    6418-43-5

    Molecular formula
    C17H36

    SMILES
    CCCCCCCCCCCCCC(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 78.1%
    Fatty 32.53%
    Oily 31.8%
    Sweet 22.7%
    Gassy 21.69%
    Odorless 20.03%
    Fishy 19.27%
    Meaty 17.9%
    Burnt 14.91%
    Clean 14.61%

     

    Flavor
    Alkane 64.98%
    Waxy 47.03%
    Bland 23.75%
    Mild 23.53%
    Delicate 22.5%
    Slightly waxy 22.13%
    Incense 21.01%
    Citrus peel 20.95%
    Grapefruit peel 20.46%
    Coumarinic 20.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.1

    pKa est.
    8.52 (weak base)

    Molecular weight
    240.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    296°C

    Flash point

    • 130.82 ˚C est.

  • Synonyms

    • 3-Methylhexadecane
    • Hexadecane, 3-methyl-
    • DTXSID50880753
    • Hexadecane, 3methyl
    • RefChem:94915
    • DTXCID401022114
    • WWPCLIMUTNKTDY-UHFFFAOYSA-N
    • 6418-43-5
    • SCHEMBL101263
    • SCHEMBL102504
    • SCHEMBL347621
    • SCHEMBL1023158
    • SCHEMBL5985956
    • SCHEMBL10424078
    • SCHEMBL17956344
    • LMFA11000398
    • NS00096007
    • 6418-43-5

  • Applications

    3-Methylhexadecane is a long-chain branched paraffinic hydrocarbon that may be used as a non-polar solvent and diluent in industrial manufacturing, including coatings, inks, and cleaning formulations; as a base oil or component in lubricants and greases for machinery; as a processing aid or diluent in polymer and plastics formulation or extrusion; as a carrier oil or emollient in cosmetics and personal care products; and as a reference material or analytical standard for hydrocarbon characterization, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 296.52
    methanol 85.12
    isopropanol 535.68
    water 0.0
    ethyl acetate 3346.0
    n-propanol 528.43
    acetone 1648.82
    n-butanol 925.89
    acetonitrile 353.99
    DMF 697.61
    toluene 2376.21
    isobutanol 634.36
    1,4-dioxane 3552.36
    methyl acetate 1254.58
    THF 8161.92
    2-butanone 2316.14
    n-pentanol 678.96
    sec-butanol 919.22
    n-hexane 3987.07
    ethylene glycol 7.13
    NMP 1452.27
    cyclohexane 9544.74
    DMSO 936.32
    n-butyl acetate 8427.31
    n-octanol 915.27
    chloroform 3900.61
    n-propyl acetate 3116.8
    acetic acid 177.75
    dichloromethane 3806.12
    cyclohexanone 5739.27
    propylene glycol 34.65
    isopropyl acetate 3505.3
    DMAc 1151.66
    2-ethoxyethanol 560.52
    isopentanol 1414.65
    n-heptane 8507.63
    ethyl formate 637.24
    1,2-dichloroethane 3631.48
    n-hexanol 1770.59
    2-methoxyethanol 522.52
    isobutyl acetate 2582.54
    tetrachloromethane 1574.25
    n-pentyl acetate 3492.67
    transcutol 4226.22
    n-heptanol 954.05
    ethylbenzene 1510.77
    MIBK 3012.68
    2-propoxyethanol 1491.67
    tert-butanol 1608.6
    MTBE 5628.01
    2-butoxyethanol 1128.41
    propionic acid 315.92
    o-xylene 1624.99
    formic acid 7.27
    diethyl ether 5737.95
    m-xylene 1621.7
    p-xylene 1919.05
    chlorobenzene 1821.64
    dimethyl carbonate 298.56
    n-octane 1778.87
    formamide 19.31
    cyclopentanone 4009.64
    2-pentanone 3474.45
    anisole 1784.52
    cyclopentyl methyl ether 6519.46
    gamma-butyrolactone 2401.28
    1-methoxy-2-propanol 788.7
    pyridine 2600.21
    3-pentanone 2830.15
    furfural 1264.23
    n-dodecane 538.04
    diethylene glycol 240.25
    diisopropyl ether 3809.75
    tert-amyl alcohol 1744.23
    acetylacetone 2436.74
    n-hexadecane 675.36
    acetophenone 1397.21
    methyl propionate 1472.23
    isopentyl acetate 7587.79
    trichloroethylene 4062.95
    n-nonanol 1023.25
    cyclohexanol 2183.39
    benzyl alcohol 518.48
    2-ethylhexanol 3293.96
    isooctanol 1253.28
    dipropyl ether 13982.3
    1,2-dichlorobenzene 1847.31
    ethyl lactate 462.56
    propylene carbonate 1635.98
    n-methylformamide 151.2
    2-pentanol 1280.91
    n-pentane 2465.76
    1-propoxy-2-propanol 2769.07
    1-methoxy-2-propyl acetate 3773.5
    2-(2-methoxypropoxy) propanol 1089.56
    mesitylene 1488.44
    ε-caprolactone 3843.72
    p-cymene 2218.92
    epichlorohydrin 3416.56
    1,1,1-trichloroethane 5256.06
    2-aminoethanol 41.3
    morpholine-4-carbaldehyde 1402.2
    sulfolane 2837.72
    2,2,4-trimethylpentane 1137.77
    2-methyltetrahydrofuran 7861.18
    n-hexyl acetate 3171.69
    isooctane 1063.31
    2-(2-butoxyethoxy)ethanol 1453.17
    sec-butyl acetate 3261.68
    tert-butyl acetate 5012.15
    decalin 2241.16
    glycerin 44.22
    diglyme 3718.05
    acrylic acid 130.52
    isopropyl myristate 1945.7
    n-butyric acid 1265.02
    acetyl acetate 1537.63
    di(2-ethylhexyl) phthalate 630.12
    ethyl propionate 2958.08
    nitromethane 418.69
    1,2-diethoxyethane 7193.12
    benzonitrile 952.74
    trioctyl phosphate 660.93
    1-bromopropane 5278.78
    gamma-valerolactone 3034.75
    n-decanol 752.47
    triethyl phosphate 2009.23
    4-methyl-2-pentanol 1131.1
    propionitrile 792.59
    vinylene carbonate 884.63
    1,1,2-trichlorotrifluoroethane 1053.69
    DMS 1128.93
    cumene 1136.81
    2-octanol 995.21
    2-hexanone 3177.13
    octyl acetate 1669.34
    limonene 5130.28
    1,2-dimethoxyethane 3191.16
    ethyl orthosilicate 2425.38
    tributyl phosphate 972.5
    diacetone alcohol 2111.08
    N,N-dimethylaniline 1390.92
    acrylonitrile 443.51
    aniline 1072.6
    1,3-propanediol 161.37
    bromobenzene 2734.43
    dibromomethane 3613.58
    1,1,2,2-tetrachloroethane 4466.41
    2-methyl-cyclohexyl acetate 3660.55
    tetrabutyl urea 1331.42
    diisobutyl methanol 3092.18
    2-phenylethanol 950.49
    styrene 1612.17
    dioctyl adipate 1803.35
    dimethyl sulfate 475.86
    ethyl butyrate 7851.91
    methyl lactate 243.67
    butyl lactate 1129.04
    diethyl carbonate 3382.34
    propanediol butyl ether 475.93
    triethyl orthoformate 5703.58
    p-tert-butyltoluene 2290.32
    methyl 4-tert-butylbenzoate 1521.9
    morpholine 3787.09
    tert-butylamine 1884.31
    n-dodecanol 628.11
    dimethoxymethane 1174.78
    ethylene carbonate 1157.62
    cyrene 607.8
    2-ethoxyethyl acetate 2501.94
    2-ethylhexyl acetate 7259.17
    1,2,4-trichlorobenzene 1872.88
    4-methylpyridine 2720.28
    dibutyl ether 7733.39
    2,6-dimethyl-4-heptanol 3092.18
    DEF 2885.08
    dimethyl isosorbide 2506.31
    tetrachloroethylene 2467.99
    eugenol 793.93
    triacetin 1783.48
    span 80 1084.8
    1,4-butanediol 58.24
    1,1-dichloroethane 3593.4
    2-methyl-1-pentanol 1079.34
    methyl formate 129.71
    2-methyl-1-butanol 1116.04
    n-decane 1307.28
    butyronitrile 1545.39
    3,7-dimethyl-1-octanol 1792.94
    1-chlorooctane 2655.23
    1-chlorotetradecane 906.23
    n-nonane 1572.1
    undecane 766.27
    tert-butylcyclohexane 1824.49
    cyclooctane 3377.49
    cyclopentanol 1439.57
    tetrahydropyran 9808.74
    tert-amyl methyl ether 4258.13
    2,5,8-trioxanonane 1975.3
    1-hexene 4608.87
    2-isopropoxyethanol 731.55
    2,2,2-trifluoroethanol 50.69
    methyl butyrate 3535.33

    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