3-Methyleicosane

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  • Identifiers

    CAS number
    6418-46-8

    Molecular formula
    C21H44

    SMILES
    CCCCCCCCCCCCCCCCCC(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 82.73%
    Fatty 37.08%
    Oily 32.6%
    Odorless 22.76%
    Fishy 19.01%
    Meaty 17.49%
    Sweet 16.9%
    Gassy 15.67%
    Savory 14.64%
    Burnt 14.13%

     

    Flavor
    Alkane 62.65%
    Waxy 49.31%
    Bland 25.76%
    Mild 24.26%
    Slightly waxy 21.82%
    Delicate 21.78%
    Incense 20.27%
    Citrus peel 20.18%
    Grapefruit peel 19.63%
    Bay oil 19.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.3

    pKa est.
    8.54 (weak base)

    Molecular weight
    296.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    356°C

    Flash point

    • 161.63 ˚C est.

  • Synonyms

    • 3-Methyleicosane
    • Eicosane, 3-methyl-
    • 6418-46-8
    • NSC 125394
    • DTXSID30880756
    • RefChem:94883
    • Eicosane, 3-methyl-(8CI)
    • DTXCID501022117
    • Eicosane, 3-methyl-(8CI)(9CI)
    • GZCXIMGMPAZPPM-UHFFFAOYSA-N
    • 3-Methylicosane
    • 3-Methylicosane #
    • NSC125394
    • SCHEMBL102578
    • SCHEMBL103753
    • SCHEMBL4543213
    • SCHEMBL5985586
    • SCHEMBL10584212
    • SCHEMBL17219813
    • NSC-125394
    • NS00096080
    • 6418-46-8

  • Applications

    3-Methyleicosane (CAS 6418-46-8) is a long-chain branched alkane and, as a nonpolar hydrocarbon, may be used as a diluent and base oil in cosmetics and personal care formulations, providing slip and a carrier medium for active ingredients and fragrances; it may also serve as a nonpolar solvent or processing aid in paints, coatings and inks; in industrial manufacturing it can act as a component of specialty lubricants and metalworking fluids; it may function as a wax-like processing aid or modifier in polymer and plastics formulations; and it can be employed in cleaning formulations as a nonpolar hydrocarbon solvent, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.53
    methanol 15.56
    isopropanol 93.32
    water 0.0
    ethyl acetate 1100.66
    n-propanol 102.89
    acetone 425.79
    n-butanol 197.95
    acetonitrile 76.76
    DMF 275.54
    toluene 772.52
    isobutanol 147.34
    1,4-dioxane 1116.56
    methyl acetate 409.8
    THF 3024.54
    2-butanone 706.31
    n-pentanol 151.92
    sec-butanol 197.82
    n-hexane 855.44
    ethylene glycol 1.67
    NMP 902.6
    cyclohexane 3451.47
    DMSO 341.78
    n-butyl acetate 2676.82
    n-octanol 303.61
    chloroform 1749.71
    n-propyl acetate 1238.82
    acetic acid 59.28
    dichloromethane 1676.32
    cyclohexanone 2445.8
    propylene glycol 8.3
    isopropyl acetate 1405.22
    DMAc 653.36
    2-ethoxyethanol 165.56
    isopentanol 336.47
    n-heptane 2461.72
    ethyl formate 223.41
    1,2-dichloroethane 1453.84
    n-hexanol 357.92
    2-methoxyethanol 149.94
    isobutyl acetate 1096.05
    tetrachloromethane 801.13
    n-pentyl acetate 1674.66
    transcutol 1569.11
    n-heptanol 299.88
    ethylbenzene 571.41
    MIBK 1251.11
    2-propoxyethanol 409.66
    tert-butanol 352.28
    MTBE 1474.54
    2-butoxyethanol 409.64
    propionic acid 105.26
    o-xylene 694.52
    formic acid 3.13
    diethyl ether 1370.18
    m-xylene 632.34
    p-xylene 810.7
    chlorobenzene 783.44
    dimethyl carbonate 148.8
    n-octane 564.99
    formamide 8.19
    cyclopentanone 1879.17
    2-pentanone 1146.39
    anisole 776.28
    cyclopentyl methyl ether 2677.92
    gamma-butyrolactone 1253.38
    1-methoxy-2-propanol 250.66
    pyridine 859.41
    3-pentanone 1071.09
    furfural 625.83
    n-dodecane 172.15
    diethylene glycol 68.04
    diisopropyl ether 1214.99
    tert-amyl alcohol 470.14
    acetylacetone 1086.48
    n-hexadecane 222.94
    acetophenone 746.69
    methyl propionate 569.03
    isopentyl acetate 2749.84
    trichloroethylene 1932.96
    n-nonanol 358.97
    cyclohexanol 706.98
    benzyl alcohol 198.79
    2-ethylhexanol 872.9
    isooctanol 423.71
    dipropyl ether 4221.42
    1,2-dichlorobenzene 931.79
    ethyl lactate 218.74
    propylene carbonate 873.5
    n-methylformamide 50.76
    2-pentanol 316.07
    n-pentane 528.96
    1-propoxy-2-propanol 862.94
    1-methoxy-2-propyl acetate 1648.99
    2-(2-methoxypropoxy) propanol 495.9
    mesitylene 639.24
    ε-caprolactone 1727.06
    p-cymene 959.58
    epichlorohydrin 1456.63
    1,1,1-trichloroethane 2453.1
    2-aminoethanol 10.05
    morpholine-4-carbaldehyde 691.26
    sulfolane 1747.13
    2,2,4-trimethylpentane 394.21
    2-methyltetrahydrofuran 2834.82
    n-hexyl acetate 1435.81
    isooctane 333.5
    2-(2-butoxyethoxy)ethanol 584.1
    sec-butyl acetate 1392.63
    tert-butyl acetate 2239.34
    decalin 851.08
    glycerin 13.6
    diglyme 1742.51
    acrylic acid 49.42
    isopropyl myristate 918.63
    n-butyric acid 427.7
    acetyl acetate 671.08
    di(2-ethylhexyl) phthalate 311.62
    ethyl propionate 1253.45
    nitromethane 155.5
    1,2-diethoxyethane 2437.99
    benzonitrile 347.06
    trioctyl phosphate 310.73
    1-bromopropane 1653.77
    gamma-valerolactone 1451.99
    n-decanol 260.0
    triethyl phosphate 1098.68
    4-methyl-2-pentanol 325.2
    propionitrile 188.89
    vinylene carbonate 445.72
    1,1,2-trichlorotrifluoroethane 527.62
    DMS 586.07
    cumene 480.34
    2-octanol 337.84
    2-hexanone 1065.54
    octyl acetate 787.14
    limonene 2056.61
    1,2-dimethoxyethane 1090.76
    ethyl orthosilicate 1268.61
    tributyl phosphate 447.23
    diacetone alcohol 916.55
    N,N-dimethylaniline 664.25
    acrylonitrile 116.01
    aniline 356.19
    1,3-propanediol 41.6
    bromobenzene 1209.42
    dibromomethane 1398.23
    1,1,2,2-tetrachloroethane 2149.57
    2-methyl-cyclohexyl acetate 1753.63
    tetrabutyl urea 670.78
    diisobutyl methanol 1060.6
    2-phenylethanol 313.05
    styrene 590.05
    dioctyl adipate 962.32
    dimethyl sulfate 298.13
    ethyl butyrate 3082.53
    methyl lactate 112.14
    butyl lactate 579.85
    diethyl carbonate 1445.75
    propanediol butyl ether 181.32
    triethyl orthoformate 2587.42
    p-tert-butyltoluene 975.51
    methyl 4-tert-butylbenzoate 914.64
    morpholine 1127.95
    tert-butylamine 417.14
    n-dodecanol 217.99
    dimethoxymethane 448.27
    ethylene carbonate 559.41
    cyrene 362.17
    2-ethoxyethyl acetate 1231.58
    2-ethylhexyl acetate 2660.22
    1,2,4-trichlorobenzene 976.5
    4-methylpyridine 950.84
    dibutyl ether 2578.52
    2,6-dimethyl-4-heptanol 1060.6
    DEF 1215.56
    dimethyl isosorbide 1428.43
    tetrachloroethylene 1215.72
    eugenol 415.79
    triacetin 1058.0
    span 80 490.92
    1,4-butanediol 15.97
    1,1-dichloroethane 1355.28
    2-methyl-1-pentanol 285.19
    methyl formate 49.59
    2-methyl-1-butanol 276.2
    n-decane 446.61
    butyronitrile 360.48
    3,7-dimethyl-1-octanol 621.19
    1-chlorooctane 1001.15
    1-chlorotetradecane 354.88
    n-nonane 512.09
    undecane 254.28
    tert-butylcyclohexane 671.5
    cyclooctane 1246.16
    cyclopentanol 488.25
    tetrahydropyran 2911.97
    tert-amyl methyl ether 1430.63
    2,5,8-trioxanonane 994.42
    1-hexene 921.99
    2-isopropoxyethanol 240.45
    2,2,2-trifluoroethanol 27.6
    methyl butyrate 1447.31

    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