3-Methylpentacosane

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  • Identifiers

    CAS number
    6902-54-1

    Molecular formula
    C26H54

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCC(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 84.59%
    Fatty 39.27%
    Oily 32.22%
    Odorless 24.26%
    Fishy 18.47%
    Meaty 16.47%
    Savory 14.33%
    Sweet 13.64%
    Burnt 13.27%
    Gassy 11.97%

     

    Flavor
    Alkane 60.3%
    Waxy 49.82%
    Bland 26.97%
    Mild 24.32%
    Slightly waxy 21.36%
    Delicate 21.07%
    Incense 19.52%
    Citrus peel 19.42%
    Bay oil 18.95%
    Beer 18.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.0

    pKa est.
    9.19 (weak base)

    Molecular weight
    366.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    427°C

    Flash point

    • 198.85 ˚C est.

  • Synonyms

    • 3-Methylpentacosane
    • Pentacosane, 3-methyl-
    • 6902-54-1
    • DTXSID60988774
    • RefChem:911546
    • DTXCID301415908
    • xi-3-Methylpentacosane
    • Pentacosane, 3-methyl
    • 3-Methyl-n-pentacosane
    • SCHEMBL202176
    • SCHEMBL4908594
    • SCHEMBL5984383
    • SCHEMBL7939027
    • SCHEMBL27162606
    • LMFA11000402
    • 6902-54-1

  • Applications

    3-Methylpentacosane (CAS 6902-54-1) is a long-chain branched alkane that predominantly appears as a nonpolar hydrocarbon component in industrial formulations. In industry, it may be used as a base component in lubricants and high-temperature oils, as a waxy thickener or texturing agent in coatings, inks, and cosmetic formulations, and as a processing aid or lubricant in polymer and plastics processing to reduce friction and improve handling. It may also function as a nonpolar solvent or carrier in certain cleaning formulations and household products. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.69
    methanol 3.44
    isopropanol 14.5
    water 0.0
    ethyl acetate 266.97
    n-propanol 18.95
    acetone 96.11
    n-butanol 35.5
    acetonitrile 15.55
    DMF 84.05
    toluene 166.84
    isobutanol 30.05
    1,4-dioxane 285.36
    methyl acetate 108.83
    THF 855.76
    2-butanone 177.2
    n-pentanol 30.86
    sec-butanol 38.21
    n-hexane 129.81
    ethylene glycol 0.43
    NMP 424.18
    cyclohexane 710.64
    DMSO 118.32
    n-butyl acetate 613.28
    n-octanol 86.29
    chloroform 632.33
    n-propyl acetate 347.18
    acetic acid 19.77
    dichloromethane 584.45
    cyclohexanone 739.1
    propylene glycol 1.99
    isopropyl acetate 389.34
    DMAc 268.6
    2-ethoxyethanol 46.44
    isopentanol 64.55
    n-heptane 414.69
    ethyl formate 61.9
    1,2-dichloroethane 428.92
    n-hexanol 60.31
    2-methoxyethanol 38.06
    isobutyl acetate 333.01
    tetrachloromethane 285.49
    n-pentyl acetate 636.07
    transcutol 517.73
    n-heptanol 76.95
    ethylbenzene 139.62
    MIBK 327.45
    2-propoxyethanol 93.95
    tert-butanol 61.83
    MTBE 292.52
    2-butoxyethanol 130.28
    propionic acid 33.08
    o-xylene 186.77
    formic acid 1.57
    diethyl ether 216.49
    m-xylene 153.96
    p-xylene 209.56
    chlorobenzene 232.02
    dimethyl carbonate 52.12
    n-octane 122.04
    formamide 3.63
    cyclopentanone 649.31
    2-pentanone 258.99
    anisole 225.44
    cyclopentyl methyl ether 756.07
    gamma-butyrolactone 468.19
    1-methoxy-2-propanol 63.94
    pyridine 225.77
    3-pentanone 289.73
    furfural 242.08
    n-dodecane 41.88
    diethylene glycol 17.33
    diisopropyl ether 266.9
    tert-amyl alcohol 106.41
    acetylacetone 347.74
    n-hexadecane 54.51
    acetophenone 262.59
    methyl propionate 164.75
    isopentyl acetate 714.94
    trichloroethylene 681.09
    n-nonanol 109.17
    cyclohexanol 161.41
    benzyl alcohol 56.14
    2-ethylhexanol 178.15
    isooctanol 117.58
    dipropyl ether 906.68
    1,2-dichlorobenzene 324.87
    ethyl lactate 78.28
    propylene carbonate 335.58
    n-methylformamide 15.65
    2-pentanol 56.52
    n-pentane 74.83
    1-propoxy-2-propanol 212.2
    1-methoxy-2-propyl acetate 501.02
    2-(2-methoxypropoxy) propanol 183.4
    mesitylene 170.67
    ε-caprolactone 619.66
    p-cymene 279.06
    epichlorohydrin 480.79
    1,1,1-trichloroethane 841.86
    2-aminoethanol 2.39
    morpholine-4-carbaldehyde 265.45
    sulfolane 803.19
    2,2,4-trimethylpentane 100.17
    2-methyltetrahydrofuran 774.29
    n-hexyl acetate 523.38
    isooctane 67.12
    2-(2-butoxyethoxy)ethanol 200.49
    sec-butyl acetate 436.16
    tert-butyl acetate 724.87
    decalin 220.22
    glycerin 4.18
    diglyme 680.57
    acrylic acid 17.34
    isopropyl myristate 316.97
    n-butyric acid 122.52
    acetyl acetate 212.53
    di(2-ethylhexyl) phthalate 115.73
    ethyl propionate 372.71
    nitromethane 56.72
    1,2-diethoxyethane 635.8
    benzonitrile 92.98
    trioctyl phosphate 109.59
    1-bromopropane 391.9
    gamma-valerolactone 558.34
    n-decanol 74.22
    triethyl phosphate 451.08
    4-methyl-2-pentanol 69.42
    propionitrile 36.58
    vinylene carbonate 185.78
    1,1,2-trichlorotrifluoroethane 211.87
    DMS 221.62
    cumene 128.63
    2-octanol 90.84
    2-hexanone 296.18
    octyl acetate 271.01
    limonene 607.51
    1,2-dimethoxyethane 311.79
    ethyl orthosilicate 510.05
    tributyl phosphate 165.23
    diacetone alcohol 288.3
    N,N-dimethylaniline 209.57
    acrylonitrile 26.05
    aniline 90.38
    1,3-propanediol 9.72
    bromobenzene 363.47
    dibromomethane 438.49
    1,1,2,2-tetrachloroethane 795.31
    2-methyl-cyclohexyl acetate 645.79
    tetrabutyl urea 256.16
    diisobutyl methanol 252.71
    2-phenylethanol 80.97
    styrene 143.44
    dioctyl adipate 380.53
    dimethyl sulfate 138.33
    ethyl butyrate 884.79
    methyl lactate 39.47
    butyl lactate 227.61
    diethyl carbonate 444.69
    propanediol butyl ether 61.44
    triethyl orthoformate 861.99
    p-tert-butyltoluene 280.44
    methyl 4-tert-butylbenzoate 394.73
    morpholine 278.66
    tert-butylamine 65.81
    n-dodecanol 58.22
    dimethoxymethane 123.1
    ethylene carbonate 209.17
    cyrene 163.28
    2-ethoxyethyl acetate 476.78
    2-ethylhexyl acetate 739.09
    1,2,4-trichlorobenzene 363.23
    4-methylpyridine 249.41
    dibutyl ether 713.13
    2,6-dimethyl-4-heptanol 252.71
    DEF 344.05
    dimethyl isosorbide 619.08
    tetrachloroethylene 450.79
    eugenol 168.8
    triacetin 470.81
    span 80 174.85
    1,4-butanediol 4.07
    1,1-dichloroethane 379.17
    2-methyl-1-pentanol 63.41
    methyl formate 16.92
    2-methyl-1-butanol 58.24
    n-decane 114.16
    butyronitrile 67.87
    3,7-dimethyl-1-octanol 169.83
    1-chlorooctane 295.7
    1-chlorotetradecane 98.47
    n-nonane 120.82
    undecane 62.99
    tert-butylcyclohexane 163.36
    cyclooctane 268.1
    cyclopentanol 124.9
    tetrahydropyran 647.47
    tert-amyl methyl ether 379.19
    2,5,8-trioxanonane 375.22
    1-hexene 151.09
    2-isopropoxyethanol 68.24
    2,2,2-trifluoroethanol 12.71
    methyl butyrate 435.9

    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