7-Methylheptadecane

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  • Identifiers

    CAS number
    20959-33-5

    Molecular formula
    C18H38

    SMILES
    CCCCCCCCCCC(C)CCCCCC

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Waxy 76.41%
    Oily 33.27%
    Fatty 31.04%
    Sweet 25.76%
    Gassy 24.34%
    Odorless 19.72%
    Fishy 18.7%
    Meaty 17.01%
    Clean 15.6%
    Burnt 15.44%

     

    Flavor
    Alkane 63.28%
    Waxy 45.59%
    Bland 24.2%
    Mild 23.6%
    Delicate 22.55%
    Slightly waxy 21.96%
    Incense 20.91%
    Citrus peel 20.83%
    Grapefruit peel 20.29%
    Low 19.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.7

    pKa est.
    8.33 (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

    • 137.64 ˚C est.

  • Synonyms

    • 7-METHYLHEPTADECANE
    • Heptadecane, 7-methyl-
    • DTXSID50943251
    • RefChem:106382
    • DTXCID201371624
    • 801-706-9
    • AZGIFKCGYRMPKP-UHFFFAOYSA-N
    • 20959-33-5
    • 7-methyl-heptadecane
    • heptadecane, 7-methyl
    • SCHEMBL100273
    • SCHEMBL2784085
    • SCHEMBL3366483
    • SCHEMBL4020567
    • SCHEMBL5985092
    • SCHEMBL9656413
    • SCHEMBL25185241
    • SCHEMBL27662892
    • SCHEMBL27791022
    • LMFA11000511
    • DB-307398
    • 20959-33-5

  • Applications

    7-Methylheptadecane (CAS 20959-33-5) is a branched long-chain alkane whose practical applications include fragrance ingredient and fixative in perfumery; emollient and carrier in cosmetics and personal care; a non-polar solvent or diluent in industrial manufacturing and cleaning formulations; a component of coatings and inks as a hydrocarbon diluent; a lubricant base oil in industrial lubrication; and may be used as a processing aid or additive in polymer/plastics processing, depending on regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 474.43
    methanol 136.88
    isopropanol 860.47
    water 0.0
    ethyl acetate 4682.12
    n-propanol 821.49
    acetone 2696.78
    n-butanol 1409.35
    acetonitrile 531.17
    DMF 1137.73
    toluene 3090.59
    isobutanol 984.04
    1,4-dioxane 4841.85
    methyl acetate 1815.32
    THF 11254.69
    2-butanone 3353.31
    n-pentanol 999.02
    sec-butanol 1353.17
    n-hexane 5293.73
    ethylene glycol 10.95
    NMP 2172.14
    cyclohexane 13218.51
    DMSO 1455.9
    n-butyl acetate 10924.51
    n-octanol 1265.58
    chloroform 4998.58
    n-propyl acetate 4286.05
    acetic acid 279.84
    dichloromethane 4999.02
    cyclohexanone 8283.51
    propylene glycol 52.9
    isopropyl acetate 5006.0
    DMAc 1712.7
    2-ethoxyethanol 800.84
    isopentanol 2179.15
    n-heptane 10512.75
    ethyl formate 933.99
    1,2-dichloroethane 4949.5
    n-hexanol 2478.31
    2-methoxyethanol 811.29
    isobutyl acetate 3586.41
    tetrachloromethane 2109.05
    n-pentyl acetate 4782.95
    transcutol 5662.42
    n-heptanol 1327.3
    ethylbenzene 1837.15
    MIBK 4270.58
    2-propoxyethanol 2083.52
    tert-butanol 2373.68
    MTBE 7854.17
    2-butoxyethanol 1565.06
    propionic acid 475.26
    o-xylene 2071.61
    formic acid 11.44
    diethyl ether 8061.43
    m-xylene 2080.82
    p-xylene 2388.34
    chlorobenzene 2398.45
    dimethyl carbonate 449.0
    n-octane 2228.35
    formamide 30.18
    cyclopentanone 5872.91
    2-pentanone 5204.31
    anisole 2256.54
    cyclopentyl methyl ether 8975.14
    gamma-butyrolactone 3504.61
    1-methoxy-2-propanol 1179.49
    pyridine 3413.37
    3-pentanone 4018.32
    furfural 1753.0
    n-dodecane 679.48
    diethylene glycol 341.84
    diisopropyl ether 5266.74
    tert-amyl alcohol 2505.39
    acetylacetone 3522.3
    n-hexadecane 853.88
    acetophenone 1812.79
    methyl propionate 2166.56
    isopentyl acetate 10200.3
    trichloroethylene 5330.7
    n-nonanol 1389.16
    cyclohexanol 3203.08
    benzyl alcohol 695.96
    2-ethylhexanol 4343.1
    isooctanol 1717.95
    dipropyl ether 17834.71
    1,2-dichlorobenzene 2379.11
    ethyl lactate 643.63
    propylene carbonate 2314.35
    n-methylformamide 248.02
    2-pentanol 1892.61
    n-pentane 3472.03
    1-propoxy-2-propanol 3735.45
    1-methoxy-2-propyl acetate 4995.26
    2-(2-methoxypropoxy) propanol 1423.19
    mesitylene 1921.66
    ε-caprolactone 5398.3
    p-cymene 2708.48
    epichlorohydrin 4673.63
    1,1,1-trichloroethane 7040.96
    2-aminoethanol 63.81
    morpholine-4-carbaldehyde 2046.67
    sulfolane 4099.73
    2,2,4-trimethylpentane 1559.74
    2-methyltetrahydrofuran 10805.35
    n-hexyl acetate 4411.11
    isooctane 1434.32
    2-(2-butoxyethoxy)ethanol 1921.15
    sec-butyl acetate 4377.43
    tert-butyl acetate 6923.52
    decalin 2849.71
    glycerin 66.75
    diglyme 4983.89
    acrylic acid 195.44
    isopropyl myristate 2522.14
    n-butyric acid 1927.86
    acetyl acetate 2142.06
    di(2-ethylhexyl) phthalate 807.41
    ethyl propionate 3950.7
    nitromethane 664.87
    1,2-diethoxyethane 9203.73
    benzonitrile 1279.85
    trioctyl phosphate 886.88
    1-bromopropane 6949.74
    gamma-valerolactone 4450.93
    n-decanol 1017.96
    triethyl phosphate 2556.27
    4-methyl-2-pentanol 1632.62
    propionitrile 1135.96
    vinylene carbonate 1224.07
    1,1,2-trichlorotrifluoroethane 1499.44
    DMS 1522.89
    cumene 1407.88
    2-octanol 1362.74
    2-hexanone 4360.73
    octyl acetate 2209.44
    limonene 6492.61
    1,2-dimethoxyethane 4465.59
    ethyl orthosilicate 3099.93
    tributyl phosphate 1264.28
    diacetone alcohol 2966.56
    N,N-dimethylaniline 1784.61
    acrylonitrile 627.01
    aniline 1489.25
    1,3-propanediol 250.03
    bromobenzene 3503.25
    dibromomethane 4733.92
    1,1,2,2-tetrachloroethane 5913.0
    2-methyl-cyclohexyl acetate 4655.31
    tetrabutyl urea 1757.25
    diisobutyl methanol 3967.28
    2-phenylethanol 1218.9
    styrene 2000.97
    dioctyl adipate 2335.36
    dimethyl sulfate 708.87
    ethyl butyrate 9790.89
    methyl lactate 363.37
    butyl lactate 1579.22
    diethyl carbonate 4210.64
    propanediol butyl ether 668.36
    triethyl orthoformate 7112.76
    p-tert-butyltoluene 2783.78
    methyl 4-tert-butylbenzoate 2012.31
    morpholine 5278.84
    tert-butylamine 2760.62
    n-dodecanol 840.27
    dimethoxymethane 1827.98
    ethylene carbonate 1627.23
    cyrene 794.37
    2-ethoxyethyl acetate 3385.57
    2-ethylhexyl acetate 9479.28
    1,2,4-trichlorobenzene 2436.74
    4-methylpyridine 3668.63
    dibutyl ether 10110.43
    2,6-dimethyl-4-heptanol 3967.28
    DEF 4219.06
    dimethyl isosorbide 3098.11
    tetrachloroethylene 3302.52
    eugenol 1040.42
    triacetin 2407.44
    span 80 1420.28
    1,4-butanediol 86.9
    1,1-dichloroethane 4895.82
    2-methyl-1-pentanol 1534.49
    methyl formate 207.63
    2-methyl-1-butanol 1682.02
    n-decane 1664.26
    butyronitrile 2208.12
    3,7-dimethyl-1-octanol 2392.51
    1-chlorooctane 3444.45
    1-chlorotetradecane 1169.19
    n-nonane 2002.23
    undecane 975.62
    tert-butylcyclohexane 2318.6
    cyclooctane 4502.55
    cyclopentanol 2149.69
    tetrahydropyran 13448.86
    tert-amyl methyl ether 5743.7
    2,5,8-trioxanonane 2540.4
    1-hexene 6077.96
    2-isopropoxyethanol 1038.8
    2,2,2-trifluoroethanol 79.9
    methyl butyrate 4748.92

    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