3-Methylheneicosane

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  • Identifiers

    CAS number
    6418-47-9

    Molecular formula
    C22H46

    SMILES
    CCCCCCCCCCCCCCCCCCC(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 83.28%
    Fatty 37.76%
    Oily 32.61%
    Odorless 23.16%
    Fishy 18.91%
    Meaty 17.29%
    Sweet 16.03%
    Gassy 14.71%
    Savory 14.61%
    Burnt 13.94%

     

    Flavor
    Alkane 62.1%
    Waxy 49.5%
    Bland 26.07%
    Mild 24.3%
    Slightly waxy 21.72%
    Delicate 21.62%
    Incense 20.1%
    Citrus peel 20.0%
    Grapefruit peel 19.46%
    Bay oil 19.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.8

    pKa est.
    8.62 (weak base)

    Molecular weight
    310.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    370°C

    Flash point

    • 169.07 ˚C est.

  • Synonyms

    • 3-Methylheneicosane
    • Heneicosane, 3-methyl-
    • RefChem:94908
    • OSJUENOXPFOHLF-UHFFFAOYSA-N
    • 3-Methylhenicosane
    • 6418-47-9
    • 3-Methyl-heneicosane
    • 3-Methylhenicosane #
    • SCHEMBL102906
    • SCHEMBL103308
    • SCHEMBL5986475
    • SCHEMBL10493580
    • SCHEMBL11060098
    • SCHEMBL27038954
    • SCHEMBL27682275
    • DTXSID30982704
    • LMFA11000394
    • AKOS028108673
    • A11151
    • 6418-47-9

  • Applications

    3-Methylheneicosane (CAS 6418-47-9) is a long-chain paraffin hydrocarbon used mainly as a wax-like component and thickening agent in cosmetic, personal care, and related formulations. In cosmetics and personal care, it provides structure, slip, and formulation stability. In coatings and inks, it may be used as a wax additive to adjust rheology and surface feel. In polymers and plastics, it can serve as a slip agent and crystallinity modifier during processing. In household/consumer products like candles and polishes, it can function as a wax constituent to improve hardness and stability. It may also be considered as a carrier or diluent for fragrances in fragrance formulations, depending on formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 30.91
    methanol 11.04
    isopropanol 64.54
    water 0.0
    ethyl acetate 851.41
    n-propanol 72.95
    acetone 320.0
    n-butanol 142.95
    acetonitrile 56.49
    DMF 223.52
    toluene 592.34
    isobutanol 108.52
    1,4-dioxane 861.27
    methyl acetate 318.69
    THF 2435.48
    2-butanone 547.04
    n-pentanol 111.16
    sec-butanol 143.83
    n-hexane 599.89
    ethylene glycol 1.24
    NMP 801.44
    cyclohexane 2675.34
    DMSO 279.4
    n-butyl acetate 2066.28
    n-octanol 239.96
    chloroform 1460.49
    n-propyl acetate 999.99
    acetic acid 47.9
    dichloromethane 1399.93
    cyclohexanone 1981.68
    propylene glycol 6.06
    isopropyl acetate 1139.87
    DMAc 564.4
    2-ethoxyethanol 129.73
    isopentanol 245.79
    n-heptane 1800.36
    ethyl formate 177.1
    1,2-dichloroethane 1195.85
    n-hexanol 251.34
    2-methoxyethanol 113.77
    isobutyl acetate 899.61
    tetrachloromethane 682.24
    n-pentyl acetate 1436.61
    transcutol 1268.8
    n-heptanol 232.72
    ethylbenzene 453.86
    MIBK 1005.66
    2-propoxyethanol 305.62
    tert-butanol 250.39
    MTBE 1097.14
    2-butoxyethanol 329.67
    propionic acid 84.45
    o-xylene 561.74
    formic acid 2.67
    diethyl ether 985.99
    m-xylene 500.63
    p-xylene 652.81
    chlorobenzene 640.03
    dimethyl carbonate 124.96
    n-octane 431.75
    formamide 6.94
    cyclopentanone 1588.38
    2-pentanone 883.03
    anisole 631.01
    cyclopentyl methyl ether 2158.71
    gamma-butyrolactone 1065.43
    1-methoxy-2-propanol 195.33
    pyridine 669.31
    3-pentanone 856.64
    furfural 528.37
    n-dodecane 133.09
    diethylene glycol 51.92
    diisopropyl ether 931.94
    tert-amyl alcohol 355.32
    acetylacetone 899.27
    n-hexadecane 173.2
    acetophenone 634.16
    methyl propionate 458.05
    isopentyl acetate 2177.48
    trichloroethylene 1611.18
    n-nonanol 290.68
    cyclohexanol 533.86
    benzyl alcohol 157.08
    2-ethylhexanol 646.84
    isooctanol 335.6
    dipropyl ether 3245.08
    1,2-dichlorobenzene 786.16
    ethyl lactate 182.02
    propylene carbonate 741.98
    n-methylformamide 40.38
    2-pentanol 226.47
    n-pentane 366.19
    1-propoxy-2-propanol 657.87
    1-methoxy-2-propyl acetate 1362.88
    2-(2-methoxypropoxy) propanol 415.75
    mesitylene 513.39
    ε-caprolactone 1450.16
    p-cymene 787.82
    epichlorohydrin 1198.94
    1,1,1-trichloroethane 2076.15
    2-aminoethanol 7.4
    morpholine-4-carbaldehyde 587.17
    sulfolane 1545.65
    2,2,4-trimethylpentane 311.06
    2-methyltetrahydrofuran 2250.83
    n-hexyl acetate 1216.26
    isooctane 252.17
    2-(2-butoxyethoxy)ethanol 477.57
    sec-butyl acetate 1158.04
    tert-butyl acetate 1874.92
    decalin 685.24
    glycerin 10.48
    diglyme 1484.14
    acrylic acid 40.25
    isopropyl myristate 777.55
    n-butyric acid 338.96
    acetyl acetate 551.66
    di(2-ethylhexyl) phthalate 265.52
    ethyl propionate 1024.28
    nitromethane 127.64
    1,2-diethoxyethane 1913.8
    benzonitrile 271.08
    trioctyl phosphate 261.73
    1-bromopropane 1298.18
    gamma-valerolactone 1241.36
    n-decanol 207.66
    triethyl phosphate 959.14
    4-methyl-2-pentanol 246.8
    propionitrile 138.16
    vinylene carbonate 381.97
    1,1,2-trichlorotrifluoroethane 447.65
    DMS 504.59
    cumene 390.48
    2-octanol 265.29
    2-hexanone 849.42
    octyl acetate 662.2
    limonene 1674.73
    1,2-dimethoxyethane 864.96
    ethyl orthosilicate 1095.52
    tributyl phosphate 378.74
    diacetone alcohol 756.36
    N,N-dimethylaniline 550.62
    acrylonitrile 87.41
    aniline 276.81
    1,3-propanediol 30.74
    bromobenzene 1004.12
    dibromomethane 1150.32
    1,1,2,2-tetrachloroethane 1820.92
    2-methyl-cyclohexyl acetate 1491.4
    tetrabutyl urea 578.27
    diisobutyl methanol 820.69
    2-phenylethanol 245.68
    styrene 464.81
    dioctyl adipate 832.69
    dimethyl sulfate 266.03
    ethyl butyrate 2493.81
    methyl lactate 92.38
    butyl lactate 493.4
    diethyl carbonate 1181.12
    propanediol butyl ether 147.02
    triethyl orthoformate 2156.36
    p-tert-butyltoluene 800.32
    methyl 4-tert-butylbenzoate 803.59
    morpholine 858.68
    tert-butylamine 292.7
    n-dodecanol 171.52
    dimethoxymethane 355.4
    ethylene carbonate 470.18
    cyrene 317.76
    2-ethoxyethyl acetate 1049.81
    2-ethylhexyl acetate 2131.48
    1,2,4-trichlorobenzene 830.98
    4-methylpyridine 742.65
    dibutyl ether 2035.63
    2,6-dimethyl-4-heptanol 820.69
    DEF 985.0
    dimethyl isosorbide 1254.59
    tetrachloroethylene 1018.38
    eugenol 357.18
    triacetin 935.87
    span 80 413.07
    1,4-butanediol 11.93
    1,1-dichloroethane 1094.15
    2-methyl-1-pentanol 212.87
    methyl formate 40.64
    2-methyl-1-butanol 204.34
    n-decane 352.25
    butyronitrile 265.11
    3,7-dimethyl-1-octanol 494.55
    1-chlorooctane 805.37
    1-chlorotetradecane 285.92
    n-nonane 395.84
    undecane 198.29
    tert-butylcyclohexane 532.07
    cyclooctane 964.6
    cyclopentanol 381.64
    tetrahydropyran 2232.13
    tert-amyl methyl ether 1124.21
    2,5,8-trioxanonane 839.47
    1-hexene 658.06
    2-isopropoxyethanol 191.29
    2,2,2-trifluoroethanol 24.01
    methyl butyrate 1183.89

    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