3-Methylhexacosane

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  • Identifiers

    CAS number
    65820-56-6

    Molecular formula
    C27H56

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCC(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 84.8%
    Fatty 39.47%
    Oily 32.08%
    Odorless 24.45%
    Fishy 18.38%
    Meaty 16.25%
    Savory 14.24%
    Sweet 13.23%
    Burnt 13.12%
    Animal 11.83%

     

    Flavor
    Alkane 59.94%
    Waxy 49.83%
    Bland 27.13%
    Mild 24.3%
    Slightly waxy 21.28%
    Delicate 20.96%
    Incense 19.4%
    Citrus peel 19.29%
    Bay oil 18.86%
    Beer 18.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.6

    pKa est.
    9.35 (weak base)

    Molecular weight
    380.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    441°C

    Flash point

    • 206.33 ˚C est.

  • Synonyms

    • 3-methylhexacosane
    • Hexacosane, 3-methyl-
    • 65820-56-6
    • 3-Methyl-n-hexacosane
    • Q0LF60X395
    • UNII-Q0LF60X395
    • DTXSID50423927
    • RefChem:94914
    • DTXCID70374765
    • YMQJCTWHHRBBQA-UHFFFAOYSA-N
    • Hexacosane, 3-methyl
    • SCHEMBL5984951
    • SCHEMBL27160563
    • SCHEMBL28807228
    • SCHEMBL31509176
    • 65820-56-6

  • Applications

    3-Methylhexacosane (CAS 65820-56-6) is a long-chain branched hydrocarbon that is used as a high-boiling, nonpolar component in several industrial formulations. In industrial manufacturing, it can serve as a base oil or lubricant component to improve lubrication and processing in equipment and metal-forming operations. In cosmetics and personal care, it can function as a wax-like thickener and emollient, contributing to texture, slip, and conditioning in creams, lotions, and makeup bases. In perfumery and fragrance, it may be used as a paraffinic carrier or diluent that helps dissolve and evenly distribute fragrance oils and provides a non-volatile background. In coatings and inks, it can act as a wax-like additive to adjust gloss, water resistance, and rheology, or as a processing aid/slip agent in plastic films. In plastics and polymers, it can be used as a processing aid that reduces friction and aids release during molding or extrusion. In industrial cleaning formulations, it may serve as a nonpolar hydrocarbon carrier to help dissolve nonpolar contaminants and stabilize other additives within certain formulations. Applications depend on regulatory compliance and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.97
    methanol 2.84
    isopropanol 10.99
    water 0.01
    ethyl acetate 215.03
    n-propanol 14.74
    acetone 76.19
    n-butanol 27.63
    acetonitrile 12.3
    DMF 69.4
    toluene 132.67
    isobutanol 23.41
    1,4-dioxane 230.29
    methyl acetate 88.96
    THF 697.98
    2-butanone 142.58
    n-pentanol 24.35
    sec-butanol 29.58
    n-hexane 98.9
    ethylene glycol 0.36
    NMP 375.49
    cyclohexane 545.29
    DMSO 100.39
    n-butyl acetate 488.84
    n-octanol 71.38
    chloroform 540.94
    n-propyl acetate 284.87
    acetic acid 16.93
    dichloromethane 494.6
    cyclohexanone 611.67
    propylene glycol 1.67
    isopropyl acetate 312.6
    DMAc 232.32
    2-ethoxyethanol 38.32
    isopentanol 49.98
    n-heptane 315.89
    ethyl formate 50.88
    1,2-dichloroethane 350.94
    n-hexanol 46.6
    2-methoxyethanol 30.97
    isobutyl acetate 273.12
    tetrachloromethane 239.96
    n-pentyl acetate 536.55
    transcutol 437.27
    n-heptanol 62.47
    ethylbenzene 112.18
    MIBK 261.63
    2-propoxyethanol 75.48
    tert-butanol 46.83
    MTBE 229.03
    2-butoxyethanol 109.93
    propionic acid 27.99
    o-xylene 152.14
    formic acid 1.45
    diethyl ether 163.89
    m-xylene 124.24
    p-xylene 168.84
    chlorobenzene 191.58
    dimethyl carbonate 44.84
    n-octane 97.28
    formamide 3.28
    cyclopentanone 543.29
    2-pentanone 205.47
    anisole 184.68
    cyclopentyl methyl ether 614.74
    gamma-butyrolactone 399.23
    1-methoxy-2-propanol 51.83
    pyridine 184.63
    3-pentanone 233.4
    furfural 209.92
    n-dodecane 33.98
    diethylene glycol 14.17
    diisopropyl ether 207.8
    tert-amyl alcohol 83.43
    acetylacetone 287.19
    n-hexadecane 44.38
    acetophenone 220.66
    methyl propionate 136.29
    isopentyl acetate 582.83
    trichloroethylene 578.37
    n-nonanol 90.91
    cyclohexanol 128.37
    benzyl alcohol 46.24
    2-ethylhexanol 140.21
    isooctanol 96.48
    dipropyl ether 714.34
    1,2-dichlorobenzene 275.05
    ethyl lactate 66.4
    propylene carbonate 288.56
    n-methylformamide 13.25
    2-pentanol 43.37
    n-pentane 56.39
    1-propoxy-2-propanol 171.96
    1-methoxy-2-propyl acetate 412.67
    2-(2-methoxypropoxy) propanol 157.1
    mesitylene 139.59
    ε-caprolactone 526.11
    p-cymene 228.36
    epichlorohydrin 403.4
    1,1,1-trichloroethane 697.41
    2-aminoethanol 1.99
    morpholine-4-carbaldehyde 226.75
    sulfolane 710.24
    2,2,4-trimethylpentane 80.95
    2-methyltetrahydrofuran 628.0
    n-hexyl acetate 439.78
    isooctane 52.7
    2-(2-butoxyethoxy)ethanol 169.82
    sec-butyl acetate 357.68
    tert-butyl acetate 597.65
    decalin 178.03
    glycerin 3.57
    diglyme 584.06
    acrylic acid 14.98
    isopropyl myristate 264.04
    n-butyric acid 100.79
    acetyl acetate 178.19
    di(2-ethylhexyl) phthalate 98.19
    ethyl propionate 304.75
    nitromethane 48.98
    1,2-diethoxyethane 523.25
    benzonitrile 76.87
    trioctyl phosphate 92.05
    1-bromopropane 310.74
    gamma-valerolactone 478.26
    n-decanol 60.89
    triethyl phosphate 387.21
    4-methyl-2-pentanol 53.89
    propionitrile 28.51
    vinylene carbonate 162.22
    1,1,2-trichlorotrifluoroethane 185.68
    DMS 189.15
    cumene 105.11
    2-octanol 74.88
    2-hexanone 239.58
    octyl acetate 224.17
    limonene 496.69
    1,2-dimethoxyethane 254.08
    ethyl orthosilicate 433.14
    tributyl phosphate 140.35
    diacetone alcohol 235.28
    N,N-dimethylaniline 173.6
    acrylonitrile 20.88
    aniline 73.82
    1,3-propanediol 7.9
    bromobenzene 302.12
    dibromomethane 366.47
    1,1,2,2-tetrachloroethane 677.21
    2-methyl-cyclohexyl acetate 547.03
    tetrabutyl urea 218.37
    diisobutyl methanol 200.89
    2-phenylethanol 65.94
    styrene 115.81
    dioctyl adipate 324.72
    dimethyl sulfate 122.75
    ethyl butyrate 726.88
    methyl lactate 33.59
    butyl lactate 196.19
    diethyl carbonate 366.58
    propanediol butyl ether 52.32
    triethyl orthoformate 718.59
    p-tert-butyltoluene 227.69
    methyl 4-tert-butylbenzoate 344.05
    morpholine 225.04
    tert-butylamine 49.33
    n-dodecanol 47.33
    dimethoxymethane 100.46
    ethylene carbonate 180.39
    cyrene 142.76
    2-ethoxyethyl acetate 405.75
    2-ethylhexyl acetate 606.21
    1,2,4-trichlorobenzene 310.72
    4-methylpyridine 204.26
    dibutyl ether 585.01
    2,6-dimethyl-4-heptanol 200.89
    DEF 280.86
    dimethyl isosorbide 540.04
    tetrachloroethylene 384.79
    eugenol 146.18
    triacetin 409.24
    span 80 148.78
    1,4-butanediol 3.38
    1,1-dichloroethane 309.91
    2-methyl-1-pentanol 50.58
    methyl formate 14.52
    2-methyl-1-butanol 45.85
    n-decane 92.79
    butyronitrile 52.5
    3,7-dimethyl-1-octanol 139.53
    1-chlorooctane 245.52
    1-chlorotetradecane 80.14
    n-nonane 97.23
    undecane 51.31
    tert-butylcyclohexane 131.24
    cyclooctane 210.12
    cyclopentanol 101.04
    tetrahydropyran 511.78
    tert-amyl methyl ether 307.3
    2,5,8-trioxanonane 320.98
    1-hexene 115.43
    2-isopropoxyethanol 55.93
    2,2,2-trifluoroethanol 11.42
    methyl butyrate 355.79

    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