3-Methyldocosane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    72227-00-0

    Molecular formula
    C23H48

    SMILES
    CCCCCCCCCCCCCCCCCCCC(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 83.71%
    Fatty 38.3%
    Oily 32.56%
    Odorless 23.48%
    Fishy 18.8%
    Meaty 17.1%
    Sweet 15.3%
    Savory 14.56%
    Gassy 13.89%
    Burnt 13.76%

     

    Flavor
    Alkane 61.6%
    Waxy 49.63%
    Bland 26.34%
    Mild 24.32%
    Slightly waxy 21.62%
    Delicate 21.47%
    Incense 19.94%
    Citrus peel 19.84%
    Grapefruit peel 19.29%
    Bay oil 19.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.4

    pKa est.
    8.75 (weak base)

    Molecular weight
    324.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    384°C

    Flash point

    • 176.39 ˚C est.

  • Synonyms

    • 3-methyldocosane
    • Docosane, 3-methyl
    • 72227-00-0
    • SCHEMBL199750
    • SCHEMBL5984003
    • SCHEMBL10583373
    • SCHEMBL10583376
    • SCHEMBL21880040
    • SCHEMBL27162531
    • DTXSID00335809
    • 72227-00-0

  • Applications

    3-Methyldocosane, a long-chain branched alkane, is typically used as a non-polar solvent and high-boiling processing oil in industrial formulations; it serves as a carrier solvent in cosmetics and personal care products, as a diluent for fragrances in perfumery, and as a component of lubricant basestocks for industrial lubricants; in coatings and inks, it can function as a non-polar diluent or processing oil; in polymers and plastics, it may be used as a processing oil or plasticizer additive in formulation and processing. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.73
    methanol 7.86
    isopropanol 42.41
    water 0.0
    ethyl acetate 615.43
    n-propanol 50.42
    acetone 230.1
    n-butanol 97.19
    acetonitrile 39.58
    DMF 169.92
    toluene 418.47
    isobutanol 76.55
    1,4-dioxane 633.83
    methyl acetate 236.47
    THF 1833.45
    2-butanone 397.29
    n-pentanol 78.08
    sec-butanol 100.65
    n-hexane 397.52
    ethylene glycol 0.91
    NMP 672.15
    cyclohexane 1899.71
    DMSO 217.14
    n-butyl acetate 1501.65
    n-octanol 180.31
    chloroform 1158.32
    n-propyl acetate 756.67
    acetic acid 37.24
    dichloromethane 1100.34
    cyclohexanone 1502.72
    propylene glycol 4.35
    isopropyl acetate 858.04
    DMAc 459.95
    2-ethoxyethanol 96.63
    isopentanol 169.4
    n-heptane 1224.34
    ethyl formate 132.7
    1,2-dichloroethane 913.57
    n-hexanol 168.57
    2-methoxyethanol 82.8
    isobutyl acetate 691.69
    tetrachloromethane 543.17
    n-pentyl acetate 1165.52
    transcutol 986.98
    n-heptanol 172.58
    ethylbenzene 333.71
    MIBK 749.44
    2-propoxyethanol 219.81
    tert-butanol 170.13
    MTBE 765.55
    2-butoxyethanol 253.83
    propionic acid 65.93
    o-xylene 421.9
    formic acid 2.27
    diethyl ether 657.3
    m-xylene 364.89
    p-xylene 487.16
    chlorobenzene 486.97
    dimethyl carbonate 98.28
    n-octane 310.2
    formamide 5.72
    cyclopentanone 1250.58
    2-pentanone 631.74
    anisole 480.32
    cyclopentyl methyl ether 1624.82
    gamma-butyrolactone 854.53
    1-methoxy-2-propanol 142.98
    pyridine 495.24
    3-pentanone 643.98
    furfural 424.11
    n-dodecane 96.83
    diethylene glycol 38.43
    diisopropyl ether 669.66
    tert-amyl alcohol 257.6
    acetylacetone 693.74
    n-hexadecane 126.59
    acetophenone 503.54
    methyl propionate 344.01
    isopentyl acetate 1611.15
    trichloroethylene 1267.21
    n-nonanol 221.95
    cyclohexanol 384.39
    benzyl alcohol 118.48
    2-ethylhexanol 453.7
    isooctanol 252.93
    dipropyl ether 2327.26
    1,2-dichlorobenzene 617.45
    ethyl lactate 144.4
    propylene carbonate 595.76
    n-methylformamide 30.95
    2-pentanol 153.17
    n-pentane 239.3
    1-propoxy-2-propanol 480.2
    1-methoxy-2-propyl acetate 1047.1
    2-(2-methoxypropoxy) propanol 331.29
    mesitylene 381.61
    ε-caprolactone 1145.78
    p-cymene 599.85
    epichlorohydrin 927.14
    1,1,1-trichloroethane 1637.87
    2-aminoethanol 5.31
    morpholine-4-carbaldehyde 469.82
    sulfolane 1287.65
    2,2,4-trimethylpentane 229.32
    2-methyltetrahydrofuran 1678.86
    n-hexyl acetate 968.74
    isooctane 177.33
    2-(2-butoxyethoxy)ethanol 374.25
    sec-butyl acetate 899.63
    tert-butyl acetate 1452.45
    decalin 508.9
    glycerin 7.99
    diglyme 1197.99
    acrylic acid 31.62
    isopropyl myristate 615.59
    n-butyric acid 256.11
    acetyl acetate 424.74
    di(2-ethylhexyl) phthalate 213.78
    ethyl propionate 782.86
    nitromethane 100.97
    1,2-diethoxyethane 1410.31
    benzonitrile 201.39
    trioctyl phosphate 209.41
    1-bromopropane 952.36
    gamma-valerolactone 993.52
    n-decanol 156.8
    triethyl phosphate 784.49
    4-methyl-2-pentanol 176.9
    propionitrile 95.96
    vinylene carbonate 312.76
    1,1,2-trichlorotrifluoroethane 360.85
    DMS 406.22
    cumene 292.61
    2-octanol 198.11
    2-hexanone 642.95
    octyl acetate 524.07
    limonene 1281.32
    1,2-dimethoxyethane 650.52
    ethyl orthosilicate 894.02
    tributyl phosphate 303.85
    diacetone alcohol 589.16
    N,N-dimethylaniline 427.44
    acrylonitrile 62.65
    aniline 202.71
    1,3-propanediol 21.98
    bromobenzene 768.45
    dibromomethane 887.82
    1,1,2,2-tetrachloroethane 1458.58
    2-methyl-cyclohexyl acetate 1196.05
    tetrabutyl urea 467.48
    diisobutyl methanol 599.56
    2-phenylethanol 181.12
    styrene 338.95
    dioctyl adipate 677.73
    dimethyl sulfate 223.1
    ethyl butyrate 1880.57
    methyl lactate 72.68
    butyl lactate 395.4
    diethyl carbonate 911.43
    propanediol butyl ether 114.76
    triethyl orthoformate 1688.23
    p-tert-butyltoluene 608.08
    methyl 4-tert-butylbenzoate 663.2
    morpholine 623.61
    tert-butylamine 195.35
    n-dodecanol 127.69
    dimethoxymethane 264.08
    ethylene carbonate 375.58
    cyrene 266.43
    2-ethoxyethyl acetate 849.25
    2-ethylhexyl acetate 1605.96
    1,2,4-trichlorobenzene 665.13
    4-methylpyridine 547.39
    dibutyl ether 1517.5
    2,6-dimethyl-4-heptanol 599.56
    DEF 747.18
    dimethyl isosorbide 1040.74
    tetrachloroethylene 813.09
    eugenol 290.95
    triacetin 778.45
    span 80 326.38
    1,4-butanediol 8.71
    1,1-dichloroethane 830.97
    2-methyl-1-pentanol 153.15
    methyl formate 31.78
    2-methyl-1-butanol 144.36
    n-decane 261.58
    butyronitrile 183.58
    3,7-dimethyl-1-octanol 368.53
    1-chlorooctane 610.84
    1-chlorotetradecane 214.29
    n-nonane 285.99
    undecane 146.09
    tert-butylcyclohexane 388.64
    cyclooctane 691.53
    cyclopentanol 280.8
    tetrahydropyran 1584.43
    tert-amyl methyl ether 835.99
    2,5,8-trioxanonane 670.01
    1-hexene 445.84
    2-isopropoxyethanol 143.22
    2,2,2-trifluoroethanol 20.0
    methyl butyrate 909.53

    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