9-Methylheptadecane

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  • Identifiers

    CAS number
    18869-72-2

    Molecular formula
    C18H38

    SMILES
    CCCCCCCCC(C)CCCCCCCC

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Waxy 76.29%
    Oily 33.21%
    Fatty 30.88%
    Sweet 25.88%
    Gassy 24.5%
    Odorless 19.64%
    Fishy 18.68%
    Meaty 16.94%
    Clean 15.61%
    Burnt 15.4%

     

    Flavor
    Alkane 63.14%
    Waxy 45.51%
    Bland 24.2%
    Mild 23.57%
    Delicate 22.55%
    Slightly waxy 21.96%
    Incense 20.89%
    Citrus peel 20.81%
    Grapefruit peel 20.29%
    Low 19.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.7

    pKa est.
    8.38 (weak base)

    Molecular weight
    254.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    308°C

    Flash point

    • 135.81 ˚C est.

  • Synonyms

    • 9-methylheptadecane
    • 18869-72-2
    • RefChem:549476
    • 801-707-4
    • 9-methyl-heptadecane
    • Heptadecane, 9-methyl
    • Heptadecane, 9-methyl-
    • SCHEMBL162172
    • SCHEMBL1305913
    • SCHEMBL2140719
    • SCHEMBL5986401
    • SCHEMBL8106905
    • SCHEMBL11229760
    • SCHEMBL16145433
    • DTXSID701377253
    • 18869-72-2

  • Applications

    9-Methylheptadecane is a long-branched, non-polar hydrocarbon that can function as a solvent carrier and diluent in several industrial formulations. In perfumery and fragrance, it may be used as a non-polar diluent and carrier to modulate evaporation and aid dissolution of fragrance components; in cosmetics and personal care, it can serve as an emollient and texture modifier or carrier in creams and lotions; in coatings and inks, it can act as a non-polar solvent or viscosity modifier; in industrial manufacturing, it may serve as a lubricant base oil or process solvent in nonpolar media; and in polymers/plastics, it can be employed as a wax-like constituent or additive to adjust processing behavior and material properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 431.43
    methanol 123.36
    isopropanol 777.82
    water 0.0
    ethyl acetate 4212.18
    n-propanol 742.63
    acetone 2439.8
    n-butanol 1262.91
    acetonitrile 468.42
    DMF 1043.5
    toluene 2754.14
    isobutanol 888.36
    1,4-dioxane 4439.63
    methyl acetate 1638.75
    THF 10511.95
    2-butanone 3044.62
    n-pentanol 906.82
    sec-butanol 1220.58
    n-hexane 4680.37
    ethylene glycol 10.07
    NMP 2024.07
    cyclohexane 11688.97
    DMSO 1333.07
    n-butyl acetate 9999.87
    n-octanol 1175.74
    chloroform 4580.25
    n-propyl acetate 3895.29
    acetic acid 250.18
    dichloromethane 4600.18
    cyclohexanone 7551.04
    propylene glycol 48.73
    isopropyl acetate 4509.36
    DMAc 1572.01
    2-ethoxyethanol 735.74
    isopentanol 1957.72
    n-heptane 9631.33
    ethyl formate 848.83
    1,2-dichloroethane 4506.97
    n-hexanol 2278.47
    2-methoxyethanol 735.05
    isobutyl acetate 3272.6
    tetrachloromethane 1910.99
    n-pentyl acetate 4371.0
    transcutol 5245.46
    n-heptanol 1228.8
    ethylbenzene 1655.43
    MIBK 3879.64
    2-propoxyethanol 1921.68
    tert-butanol 2136.99
    MTBE 6947.48
    2-butoxyethanol 1450.2
    propionic acid 428.51
    o-xylene 1872.74
    formic acid 10.17
    diethyl ether 7127.95
    m-xylene 1883.83
    p-xylene 2166.9
    chlorobenzene 2167.49
    dimethyl carbonate 408.85
    n-octane 2052.5
    formamide 27.09
    cyclopentanone 5400.24
    2-pentanone 4713.88
    anisole 2045.69
    cyclopentyl methyl ether 8234.19
    gamma-butyrolactone 3257.6
    1-methoxy-2-propanol 1089.29
    pyridine 3084.32
    3-pentanone 3622.21
    furfural 1608.75
    n-dodecane 632.61
    diethylene glycol 317.31
    diisopropyl ether 4674.75
    tert-amyl alcohol 2257.28
    acetylacetone 3235.15
    n-hexadecane 791.79
    acetophenone 1680.91
    methyl propionate 1974.96
    isopentyl acetate 9260.74
    trichloroethylene 4887.47
    n-nonanol 1284.83
    cyclohexanol 2926.78
    benzyl alcohol 643.65
    2-ethylhexanol 3953.65
    isooctanol 1580.02
    dipropyl ether 16229.77
    1,2-dichlorobenzene 2166.36
    ethyl lactate 594.83
    propylene carbonate 2157.61
    n-methylformamide 222.95
    2-pentanol 1717.32
    n-pentane 3043.23
    1-propoxy-2-propanol 3477.57
    1-methoxy-2-propyl acetate 4640.46
    2-(2-methoxypropoxy) propanol 1324.2
    mesitylene 1743.58
    ε-caprolactone 4953.65
    p-cymene 2487.02
    epichlorohydrin 4341.01
    1,1,1-trichloroethane 6406.11
    2-aminoethanol 57.82
    morpholine-4-carbaldehyde 1890.49
    sulfolane 3854.1
    2,2,4-trimethylpentane 1395.6
    2-methyltetrahydrofuran 9793.5
    n-hexyl acetate 4027.73
    isooctane 1289.85
    2-(2-butoxyethoxy)ethanol 1798.3
    sec-butyl acetate 3947.65
    tert-butyl acetate 6247.84
    decalin 2574.17
    glycerin 61.34
    diglyme 4621.53
    acrylic acid 175.8
    isopropyl myristate 2325.16
    n-butyric acid 1742.24
    acetyl acetate 1923.04
    di(2-ethylhexyl) phthalate 755.49
    ethyl propionate 3591.26
    nitromethane 589.21
    1,2-diethoxyethane 8393.83
    benzonitrile 1161.67
    trioctyl phosphate 824.58
    1-bromopropane 6269.42
    gamma-valerolactone 4110.58
    n-decanol 943.81
    triethyl phosphate 2328.21
    4-methyl-2-pentanol 1484.02
    propionitrile 1003.99
    vinylene carbonate 1128.17
    1,1,2-trichlorotrifluoroethane 1388.37
    DMS 1409.97
    cumene 1279.7
    2-octanol 1259.76
    2-hexanone 3951.56
    octyl acetate 2044.16
    limonene 5952.86
    1,2-dimethoxyethane 4051.2
    ethyl orthosilicate 2811.29
    tributyl phosphate 1173.39
    diacetone alcohol 2724.33
    N,N-dimethylaniline 1626.16
    acrylonitrile 560.9
    aniline 1346.53
    1,3-propanediol 227.72
    bromobenzene 3172.23
    dibromomethane 4339.2
    1,1,2,2-tetrachloroethane 5414.21
    2-methyl-cyclohexyl acetate 4279.06
    tetrabutyl urea 1632.07
    diisobutyl methanol 3664.28
    2-phenylethanol 1115.54
    styrene 1796.0
    dioctyl adipate 2177.27
    dimethyl sulfate 653.83
    ethyl butyrate 8973.24
    methyl lactate 338.04
    butyl lactate 1482.47
    diethyl carbonate 3818.43
    propanediol butyl ether 631.04
    triethyl orthoformate 6452.99
    p-tert-butyltoluene 2579.23
    methyl 4-tert-butylbenzoate 1864.37
    morpholine 4817.5
    tert-butylamine 2487.12
    n-dodecanol 779.16
    dimethoxymethane 1678.75
    ethylene carbonate 1490.55
    cyrene 757.64
    2-ethoxyethyl acetate 3116.72
    2-ethylhexyl acetate 8603.33
    1,2,4-trichlorobenzene 2216.32
    4-methylpyridine 3306.91
    dibutyl ether 9224.07
    2,6-dimethyl-4-heptanol 3664.28
    DEF 3821.81
    dimethyl isosorbide 2914.72
    tetrachloroethylene 3014.81
    eugenol 968.22
    triacetin 2250.69
    span 80 1323.91
    1,4-butanediol 79.85
    1,1-dichloroethane 4458.0
    2-methyl-1-pentanol 1399.68
    methyl formate 188.5
    2-methyl-1-butanol 1511.69
    n-decane 1541.33
    butyronitrile 1966.32
    3,7-dimethyl-1-octanol 2199.14
    1-chlorooctane 3204.47
    1-chlorotetradecane 1085.62
    n-nonane 1858.14
    undecane 910.15
    tert-butylcyclohexane 2100.44
    cyclooctane 4055.22
    cyclopentanol 1970.97
    tetrahydropyran 12046.61
    tert-amyl methyl ether 5114.02
    2,5,8-trioxanonane 2384.7
    1-hexene 5350.87
    2-isopropoxyethanol 951.06
    2,2,2-trifluoroethanol 71.94
    methyl butyrate 4327.52

    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