5-Methyltridecane

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  • Identifiers

    CAS number
    25117-31-1

    Molecular formula
    C14H30

    SMILES
    CCCCCCCCC(C)CCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 62.36%
    Sweet 36.29%
    Gassy 34.39%
    Oily 30.37%
    Fatty 23.57%
    Fresh 19.74%
    Fishy 18.7%
    Citrus 18.34%
    Clean 16.95%
    Meaty 16.68%

     

    Flavor
    Alkane 65.75%
    Waxy 40.14%
    Delicate 23.08%
    Gasoline 22.67%
    Slightly waxy 21.89%
    Incense 21.64%
    Citrus peel 21.59%
    Mild 21.38%
    Grapefruit peel 21.11%
    Coumarinic 20.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    8.77 (weak base)

    Molecular weight
    198.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    242°C

    Flash point

    • 99.54 ˚C est.

  • Synonyms

    • 5-Methyltridecane
    • Tridecane, 5-methyl-
    • 25117-31-1
    • DTXSID0058649
    • RefChem:103226
    • DTXCID8032336
    • NFWBQMAWXUZCRJ-UHFFFAOYSA-N
    • 5-Methyltridecan
    • 5-methyl-tridecane
    • SCHEMBL103107
    • SCHEMBL164551
    • SCHEMBL673410
    • SCHEMBL3458341
    • SCHEMBL5086553
    • SCHEMBL5984650
    • SCHEMBL6136410
    • SCHEMBL9513008
    • SCHEMBL14812198
    • SCHEMBL19920880
    • SCHEMBL20448134
    • SCHEMBL28279026
    • LMFA11000465
    • 25117-31-1

  • Applications

    5-Methyltridecane (CAS 25117-31-1), a branched long-chain alkane, is primarily used as a non-polar solvent and diluent in several industrial formulations. It serves as a processing solvent in coatings, inks, adhesives, and polymer manufacturing to adjust solvency and resin compatibility, and can be a component in lubricant blends for industrial applications. In perfumery and cosmetics, it may function as a fragrance carrier or oil-phase solvent, providing a neutral background in fragrance dilutions and oil-based formulations. It is also utilized in cleaning formulations as a hydrocarbon solvent for degreasing and residue removal, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1709.97
    methanol 459.53
    isopropanol 2881.52
    water 0.0
    ethyl acetate 8051.11
    n-propanol 2573.77
    acetone 5896.36
    n-butanol 3967.93
    acetonitrile 1569.89
    DMF 2262.02
    toluene 5594.93
    isobutanol 2887.6
    1,4-dioxane 9101.09
    methyl acetate 3539.6
    THF 20052.69
    2-butanone 7184.46
    n-pentanol 2856.44
    sec-butanol 4012.0
    n-hexane 14366.48
    ethylene glycol 35.41
    NMP 2675.2
    cyclohexane 21043.93
    DMSO 2773.02
    n-butyl acetate 21877.27
    n-octanol 2694.45
    chloroform 8362.97
    n-propyl acetate 7037.82
    acetic acid 578.8
    dichloromethane 8593.02
    cyclohexanone 13162.67
    propylene glycol 156.54
    isopropyl acetate 7680.64
    DMAc 2425.41
    2-ethoxyethanol 1789.74
    isopentanol 5231.83
    n-heptane 21215.06
    ethyl formate 1831.71
    1,2-dichloroethane 8461.84
    n-hexanol 7505.34
    2-methoxyethanol 1949.08
    isobutyl acetate 5545.11
    tetrachloromethane 2772.73
    n-pentyl acetate 6864.17
    transcutol 10312.55
    n-heptanol 2862.37
    ethylbenzene 3239.84
    MIBK 7260.13
    2-propoxyethanol 5139.45
    tert-butanol 6493.75
    MTBE 18318.78
    2-butoxyethanol 2914.94
    propionic acid 986.44
    o-xylene 3110.95
    formic acid 22.95
    diethyl ether 18493.36
    m-xylene 3445.02
    p-xylene 3791.76
    chlorobenzene 3768.14
    dimethyl carbonate 626.54
    n-octane 4234.49
    formamide 60.1
    cyclopentanone 9107.49
    2-pentanone 9705.88
    anisole 3556.12
    cyclopentyl methyl ether 14649.87
    gamma-butyrolactone 5062.72
    1-methoxy-2-propanol 2540.12
    pyridine 6641.81
    3-pentanone 6588.33
    furfural 2422.36
    n-dodecane 1371.64
    diethylene glycol 823.02
    diisopropyl ether 9975.82
    tert-amyl alcohol 6246.5
    acetylacetone 5344.03
    n-hexadecane 1690.47
    acetophenone 2287.67
    methyl propionate 3623.68
    isopentyl acetate 18609.72
    trichloroethylene 8259.07
    n-nonanol 2727.76
    cyclohexanol 6067.54
    benzyl alcohol 1207.68
    2-ethylhexanol 10640.89
    isooctanol 3232.75
    dipropyl ether 35002.03
    1,2-dichlorobenzene 3106.07
    ethyl lactate 923.66
    propylene carbonate 3088.07
    n-methylformamide 529.01
    2-pentanol 4816.38
    n-pentane 8155.47
    1-propoxy-2-propanol 8318.27
    1-methoxy-2-propyl acetate 7913.6
    2-(2-methoxypropoxy) propanol 2136.69
    mesitylene 2852.22
    ε-caprolactone 7969.89
    p-cymene 4413.48
    epichlorohydrin 7617.82
    1,1,1-trichloroethane 10367.29
    2-aminoethanol 187.94
    morpholine-4-carbaldehyde 3060.22
    sulfolane 4964.48
    2,2,4-trimethylpentane 2726.63
    2-methyltetrahydrofuran 20020.05
    n-hexyl acetate 7169.07
    isooctane 2785.02
    2-(2-butoxyethoxy)ethanol 3399.6
    sec-butyl acetate 6529.06
    tert-butyl acetate 10330.39
    decalin 4707.36
    glycerin 153.75
    diglyme 7565.65
    acrylic acid 387.59
    isopropyl myristate 3642.35
    n-butyric acid 3634.42
    acetyl acetate 2831.39
    di(2-ethylhexyl) phthalate 1147.9
    ethyl propionate 6037.33
    nitromethane 1194.92
    1,2-diethoxyethane 17108.6
    benzonitrile 2284.67
    trioctyl phosphate 1311.62
    1-bromopropane 14303.77
    gamma-valerolactone 6709.15
    n-decanol 2025.97
    triethyl phosphate 3058.66
    4-methyl-2-pentanol 3607.51
    propionitrile 3086.04
    vinylene carbonate 1718.48
    1,1,2-trichlorotrifluoroethane 2161.67
    DMS 1984.54
    cumene 2197.38
    2-octanol 2648.26
    2-hexanone 8821.12
    octyl acetate 3252.3
    limonene 10845.94
    1,2-dimethoxyethane 8669.58
    ethyl orthosilicate 3923.1
    tributyl phosphate 1870.55
    diacetone alcohol 4678.96
    N,N-dimethylaniline 2439.56
    acrylonitrile 1734.08
    aniline 2567.11
    1,3-propanediol 643.77
    bromobenzene 5211.08
    dibromomethane 8875.38
    1,1,2,2-tetrachloroethane 8540.26
    2-methyl-cyclohexyl acetate 6373.05
    tetrabutyl urea 2413.13
    diisobutyl methanol 7260.42
    2-phenylethanol 2416.4
    styrene 3669.89
    dioctyl adipate 3122.2
    dimethyl sulfate 789.17
    ethyl butyrate 15842.15
    methyl lactate 573.12
    butyl lactate 2333.77
    diethyl carbonate 5783.68
    propanediol butyl ether 1229.16
    triethyl orthoformate 10133.12
    p-tert-butyltoluene 4539.04
    methyl 4-tert-butylbenzoate 2254.42
    morpholine 10333.31
    tert-butylamine 7355.1
    n-dodecanol 1688.42
    dimethoxymethane 3319.91
    ethylene carbonate 2286.04
    cyrene 1015.99
    2-ethoxyethyl acetate 4924.28
    2-ethylhexyl acetate 16811.25
    1,2,4-trichlorobenzene 3036.86
    4-methylpyridine 7035.03
    dibutyl ether 19359.63
    2,6-dimethyl-4-heptanol 7260.42
    DEF 6631.85
    dimethyl isosorbide 4078.68
    tetrachloroethylene 4635.19
    eugenol 1382.04
    triacetin 2788.37
    span 80 2260.32
    1,4-butanediol 223.71
    1,1-dichloroethane 8936.7
    2-methyl-1-pentanol 3706.58
    methyl formate 396.99
    2-methyl-1-butanol 4252.25
    n-decane 3224.83
    butyronitrile 5782.75
    3,7-dimethyl-1-octanol 4827.94
    1-chlorooctane 6299.25
    1-chlorotetradecane 2013.5
    n-nonane 4027.29
    undecane 1981.44
    tert-butylcyclohexane 4057.2
    cyclooctane 7240.32
    cyclopentanol 4157.35
    tetrahydropyran 25524.61
    tert-amyl methyl ether 11359.67
    2,5,8-trioxanonane 3553.94
    1-hexene 18004.74
    2-isopropoxyethanol 2151.54
    2,2,2-trifluoroethanol 109.5
    methyl butyrate 7816.93

    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