Methyl 2-methylstearate

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  • Identifiers

    CAS number
    2490-22-4

    Molecular formula
    C20H40O2

    SMILES
    CCCCCCCCCCCCCCCCC(C)C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 75.21%
    Fatty 69.77%
    Oily 56.93%
    Creamy 28.93%
    Odorless 27.82%
    Sweet 25.41%
    Dairy 24.23%
    Milky 22.8%
    Fruity 22.42%
    Soapy 19.54%

     

    Flavor
    Waxy 59.79%
    Oily 40.22%
    Mild 38.41%
    Fatty 37.52%
    Bland 31.44%
    Fat 29.45%
    Soapy 28.16%
    Faint 27.72%
    Slightly waxy 25.16%
    Alkane 24.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.1

    pKa est.
    7.65 (neutral)

    Molecular weight
    312.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    362°C

    Flash point

    • 158.55 ˚C est.

  • Synonyms

    • 2490-22-4
    • Methyl 2-methylstearate
    • Octadecanoic acid, 2-methyl-, methyl ester
    • Methyl 2-methyloctadecanoate
    • methyl a-methyl-stearate
    • Methyl 2-methyloctadecanoate #
    • SCHEMBL2534208
    • Methyl 2-methyloctadecanoic acid
    • DTXSID40947788
    • OVWHQBWRKHEQPM-UHFFFAOYSA-N
    • 2490-22-4

  • Applications

    Methyl 2-methylstearate (CAS 2490-22-4) is a branched fatty acid ester that may be used in cosmetics and personal care as an emollient and conditioning agent; in coatings and inks as a slip or flow modifier; in polymers and plastics as a plasticizer or processing aid; in industrial lubricants and metalworking fluids to improve lubrication; in cleaning and household-product formulations as a solvent or carrier; and in fragrance applications as a solvent or carrier for fragrance ingredients.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 131.78
    methanol 124.6
    isopropanol 228.26
    water 0.04
    ethyl acetate 1634.62
    n-propanol 245.11
    acetone 786.17
    n-butanol 331.65
    acetonitrile 361.67
    DMF 1030.47
    toluene 562.28
    isobutanol 288.46
    1,4-dioxane 1307.3
    methyl acetate 827.78
    THF 2408.93
    2-butanone 1159.08
    n-pentanol 239.76
    sec-butanol 357.05
    n-hexane 162.13
    ethylene glycol 7.41
    NMP 1890.65
    cyclohexane 817.81
    DMSO 779.86
    n-butyl acetate 1540.34
    n-octanol 290.98
    chloroform 3266.31
    n-propyl acetate 1700.86
    acetic acid 262.11
    dichloromethane 3433.2
    cyclohexanone 3295.9
    propylene glycol 29.06
    isopropyl acetate 1465.31
    DMAc 1561.09
    2-ethoxyethanol 482.84
    isopentanol 470.57
    n-heptane 161.8
    ethyl formate 585.65
    1,2-dichloroethane 2457.43
    n-hexanol 233.42
    2-methoxyethanol 488.32
    isobutyl acetate 1027.11
    tetrachloromethane 933.84
    n-pentyl acetate 1878.7
    transcutol 2317.4
    n-heptanol 265.69
    ethylbenzene 390.42
    MIBK 1234.33
    2-propoxyethanol 485.0
    tert-butanol 511.6
    MTBE 1163.42
    2-butoxyethanol 643.7
    propionic acid 338.62
    o-xylene 497.38
    formic acid 36.03
    diethyl ether 1008.07
    m-xylene 441.03
    p-xylene 619.54
    chlorobenzene 999.45
    dimethyl carbonate 246.41
    n-octane 76.07
    formamide 106.62
    cyclopentanone 2594.84
    2-pentanone 1397.28
    anisole 756.14
    cyclopentyl methyl ether 1743.88
    gamma-butyrolactone 2264.59
    1-methoxy-2-propanol 573.07
    pyridine 1400.77
    3-pentanone 1144.63
    furfural 1488.11
    n-dodecane 33.88
    diethylene glycol 141.51
    diisopropyl ether 527.7
    tert-amyl alcohol 614.9
    acetylacetone 1526.41
    n-hexadecane 44.07
    acetophenone 902.28
    methyl propionate 937.97
    isopentyl acetate 1454.12
    trichloroethylene 3788.48
    n-nonanol 293.69
    cyclohexanol 881.76
    benzyl alcohol 375.4
    2-ethylhexanol 344.33
    isooctanol 324.72
    dipropyl ether 923.55
    1,2-dichlorobenzene 1231.1
    ethyl lactate 361.8
    propylene carbonate 1341.94
    n-methylformamide 356.79
    2-pentanol 355.24
    n-pentane 110.28
    1-propoxy-2-propanol 628.84
    1-methoxy-2-propyl acetate 1151.13
    2-(2-methoxypropoxy) propanol 482.7
    mesitylene 365.15
    ε-caprolactone 2648.29
    p-cymene 317.06
    epichlorohydrin 2509.12
    1,1,1-trichloroethane 2944.79
    2-aminoethanol 43.29
    morpholine-4-carbaldehyde 1542.85
    sulfolane 2840.65
    2,2,4-trimethylpentane 113.58
    2-methyltetrahydrofuran 2351.37
    n-hexyl acetate 1527.06
    isooctane 71.45
    2-(2-butoxyethoxy)ethanol 701.44
    sec-butyl acetate 1317.99
    tert-butyl acetate 1815.02
    decalin 225.31
    glycerin 47.89
    diglyme 1944.04
    acrylic acid 204.09
    isopropyl myristate 458.6
    n-butyric acid 1024.3
    acetyl acetate 905.21
    di(2-ethylhexyl) phthalate 275.84
    ethyl propionate 1424.18
    nitromethane 859.65
    1,2-diethoxyethane 1490.7
    benzonitrile 673.17
    trioctyl phosphate 226.45
    1-bromopropane 1491.64
    gamma-valerolactone 3136.29
    n-decanol 177.33
    triethyl phosphate 555.22
    4-methyl-2-pentanol 286.83
    propionitrile 506.24
    vinylene carbonate 997.09
    1,1,2-trichlorotrifluoroethane 1273.71
    DMS 714.82
    cumene 273.75
    2-octanol 312.92
    2-hexanone 1176.8
    octyl acetate 530.03
    limonene 656.29
    1,2-dimethoxyethane 1706.64
    ethyl orthosilicate 563.97
    tributyl phosphate 326.92
    diacetone alcohol 1056.51
    N,N-dimethylaniline 517.95
    acrylonitrile 464.56
    aniline 488.24
    1,3-propanediol 133.56
    bromobenzene 1312.79
    dibromomethane 2171.97
    1,1,2,2-tetrachloroethane 3588.54
    2-methyl-cyclohexyl acetate 960.66
    tetrabutyl urea 488.76
    diisobutyl methanol 302.02
    2-phenylethanol 339.91
    styrene 472.59
    dioctyl adipate 651.97
    dimethyl sulfate 530.15
    ethyl butyrate 1530.59
    methyl lactate 235.81
    butyl lactate 784.15
    diethyl carbonate 721.95
    propanediol butyl ether 400.49
    triethyl orthoformate 1032.01
    p-tert-butyltoluene 294.92
    methyl 4-tert-butylbenzoate 864.19
    morpholine 1714.81
    tert-butylamine 380.51
    n-dodecanol 121.04
    dimethoxymethane 705.92
    ethylene carbonate 1055.68
    cyrene 522.92
    2-ethoxyethyl acetate 1622.24
    2-ethylhexyl acetate 1298.26
    1,2,4-trichlorobenzene 1376.53
    4-methylpyridine 1464.18
    dibutyl ether 1044.38
    2,6-dimethyl-4-heptanol 302.02
    DEF 1868.15
    dimethyl isosorbide 1241.2
    tetrachloroethylene 2351.76
    eugenol 576.6
    triacetin 1168.66
    span 80 495.34
    1,4-butanediol 57.1
    1,1-dichloroethane 2191.71
    2-methyl-1-pentanol 348.62
    methyl formate 246.41
    2-methyl-1-butanol 412.74
    n-decane 90.02
    butyronitrile 718.1
    3,7-dimethyl-1-octanol 351.05
    1-chlorooctane 457.05
    1-chlorotetradecane 123.41
    n-nonane 96.6
    undecane 50.07
    tert-butylcyclohexane 164.97
    cyclooctane 190.16
    cyclopentanol 724.01
    tetrahydropyran 2247.51
    tert-amyl methyl ether 1032.62
    2,5,8-trioxanonane 922.37
    1-hexene 390.42
    2-isopropoxyethanol 488.13
    2,2,2-trifluoroethanol 143.26
    methyl butyrate 1961.77

    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