Methyl 13-methylpentadecanoate

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  • Identifiers

    CAS number
    5487-50-3

    Molecular formula
    C17H34O2

    SMILES
    CCC(C)CCCCCCCCCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 77.51%
    Fatty 72.13%
    Oily 59.29%
    Sweet 34.68%
    Creamy 34.19%
    Dairy 27.78%
    Odorless 26.67%
    Milky 26.05%
    Fruity 24.91%
    Soapy 24.4%

     

    Flavor
    Waxy 63.31%
    Oily 46.1%
    Fatty 43.18%
    Mild 38.47%
    Soapy 34.07%
    Fat 34.03%
    Coconut 31.23%
    Bland 28.98%
    Faint 27.6%
    Creamy 27.15%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    7.68 (neutral)

    Molecular weight
    270.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    320°C

    Flash point

    • 136.35 ˚C est.

  • Synonyms

    • Methyl 13-methylpentadecanoate
    • 5487-50-3
    • Pentadecanoic acid, 13-methyl-, methyl ester
    • DTXSID40339164
    • RefChem:353463
    • DTXCID40290246
    • FRGDXZRZDAJTOU-UHFFFAOYSA-N
    • 13-METHYLPENTADECANOIC ACID*METHYL ESTER
    • orb2282998
    • methyl 13-methylpen-tadecanoate
    • Methyl 13-methylpentadecanoate #
    • MFCD00053775
    • PD078168
    • HY-114662
    • 5487-50-3

  • Applications

    Methyl 13-methylpentadecanoate (CAS 5487-50-3) is the methyl ester of 13-methylpentadecanoic acid, a branched long-chain fatty acid. In practice, it is used as a plasticizer and processing aid for polymers and coatings to improve flexibility and processability; as an emollient or conditioning ingredient in cosmetics and personal care; as a fragrance ingredient or fragrance carrier in perfumery and household products; as a solvent or carrier for actives in coatings, inks, and cleaning formulations; as an intermediate building block for the synthesis of specialty esters in industrial manufacturing; and as a lubricant additive in industrial lubricants or metalworking fluids.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 556.07
    methanol 344.04
    isopropanol 739.22
    water 0.01
    ethyl acetate 2151.03
    n-propanol 642.56
    acetone 1363.28
    n-butanol 718.36
    acetonitrile 499.97
    DMF 1027.37
    toluene 598.86
    isobutanol 597.5
    1,4-dioxane 1963.63
    methyl acetate 979.02
    THF 3451.76
    2-butanone 1743.95
    n-pentanol 503.1
    sec-butanol 765.97
    n-hexane 186.86
    ethylene glycol 11.86
    NMP 1276.43
    cyclohexane 620.9
    DMSO 1180.89
    n-butyl acetate 1714.01
    n-octanol 273.61
    chloroform 2954.33
    n-propyl acetate 1902.89
    acetic acid 310.65
    dichloromethane 2917.86
    cyclohexanone 3454.86
    propylene glycol 61.34
    isopropyl acetate 1649.31
    DMAc 1332.27
    2-ethoxyethanol 896.22
    isopentanol 845.69
    n-heptane 117.11
    ethyl formate 656.5
    1,2-dichloroethane 2265.3
    n-hexanol 448.61
    2-methoxyethanol 998.53
    isobutyl acetate 1057.79
    tetrachloromethane 585.93
    n-pentyl acetate 1322.69
    transcutol 3705.48
    n-heptanol 272.16
    ethylbenzene 392.82
    MIBK 1312.93
    2-propoxyethanol 882.07
    tert-butanol 1155.58
    MTBE 2106.11
    2-butoxyethanol 686.52
    propionic acid 384.85
    o-xylene 426.83
    formic acid 35.85
    diethyl ether 1826.11
    m-xylene 424.32
    p-xylene 529.67
    chlorobenzene 892.62
    dimethyl carbonate 173.68
    n-octane 47.0
    formamide 94.59
    cyclopentanone 2534.62
    2-pentanone 1844.14
    anisole 811.96
    cyclopentyl methyl ether 2004.05
    gamma-butyrolactone 1971.09
    1-methoxy-2-propanol 1088.81
    pyridine 1582.82
    3-pentanone 1136.82
    furfural 1357.35
    n-dodecane 22.64
    diethylene glycol 249.97
    diisopropyl ether 629.23
    tert-amyl alcohol 1060.19
    acetylacetone 1681.13
    n-hexadecane 29.46
    acetophenone 780.09
    methyl propionate 999.28
    isopentyl acetate 1607.11
    trichloroethylene 3257.71
    n-nonanol 264.22
    cyclohexanol 1088.14
    benzyl alcohol 455.02
    2-ethylhexanol 464.13
    isooctanol 315.35
    dipropyl ether 1122.38
    1,2-dichlorobenzene 920.68
    ethyl lactate 365.46
    propylene carbonate 1053.66
    n-methylformamide 342.87
    2-pentanol 632.26
    n-pentane 108.71
    1-propoxy-2-propanol 999.01
    1-methoxy-2-propyl acetate 1347.39
    2-(2-methoxypropoxy) propanol 602.73
    mesitylene 314.79
    ε-caprolactone 2504.72
    p-cymene 260.59
    epichlorohydrin 2848.19
    1,1,1-trichloroethane 2457.04
    2-aminoethanol 85.13
    morpholine-4-carbaldehyde 1481.47
    sulfolane 2183.64
    2,2,4-trimethylpentane 84.33
    2-methyltetrahydrofuran 3120.08
    n-hexyl acetate 1275.29
    isooctane 63.33
    2-(2-butoxyethoxy)ethanol 906.63
    sec-butyl acetate 1427.19
    tert-butyl acetate 1906.72
    decalin 176.69
    glycerin 79.57
    diglyme 2157.97
    acrylic acid 175.96
    isopropyl myristate 391.57
    n-butyric acid 1252.95
    acetyl acetate 871.65
    di(2-ethylhexyl) phthalate 253.0
    ethyl propionate 1475.3
    nitromethane 892.07
    1,2-diethoxyethane 1928.97
    benzonitrile 694.23
    trioctyl phosphate 191.35
    1-bromopropane 1654.65
    gamma-valerolactone 3274.42
    n-decanol 164.49
    triethyl phosphate 443.68
    4-methyl-2-pentanol 429.54
    propionitrile 669.73
    vinylene carbonate 747.31
    1,1,2-trichlorotrifluoroethane 1233.13
    DMS 570.53
    cumene 265.95
    2-octanol 262.89
    2-hexanone 1505.59
    octyl acetate 441.08
    limonene 538.6
    1,2-dimethoxyethane 2496.82
    ethyl orthosilicate 462.66
    tributyl phosphate 277.84
    diacetone alcohol 1303.38
    N,N-dimethylaniline 500.61
    acrylonitrile 536.85
    aniline 568.2
    1,3-propanediol 278.58
    bromobenzene 1058.03
    dibromomethane 2026.95
    1,1,2,2-tetrachloroethane 3178.43
    2-methyl-cyclohexyl acetate 922.21
    tetrabutyl urea 387.97
    diisobutyl methanol 345.93
    2-phenylethanol 448.83
    styrene 489.16
    dioctyl adipate 574.95
    dimethyl sulfate 344.99
    ethyl butyrate 1491.42
    methyl lactate 237.58
    butyl lactate 637.42
    diethyl carbonate 677.46
    propanediol butyl ether 457.12
    triethyl orthoformate 958.49
    p-tert-butyltoluene 249.41
    methyl 4-tert-butylbenzoate 666.03
    morpholine 2983.98
    tert-butylamine 738.91
    n-dodecanol 113.49
    dimethoxymethane 891.9
    ethylene carbonate 807.11
    cyrene 505.33
    2-ethoxyethyl acetate 1407.37
    2-ethylhexyl acetate 1257.85
    1,2,4-trichlorobenzene 1020.21
    4-methylpyridine 1646.9
    dibutyl ether 1062.23
    2,6-dimethyl-4-heptanol 345.93
    DEF 1859.35
    dimethyl isosorbide 1277.0
    tetrachloroethylene 1839.95
    eugenol 523.47
    triacetin 960.79
    span 80 570.86
    1,4-butanediol 94.02
    1,1-dichloroethane 2353.32
    2-methyl-1-pentanol 574.2
    methyl formate 209.18
    2-methyl-1-butanol 694.6
    n-decane 58.3
    butyronitrile 1047.82
    3,7-dimethyl-1-octanol 377.49
    1-chlorooctane 341.41
    1-chlorotetradecane 92.23
    n-nonane 61.74
    undecane 33.27
    tert-butylcyclohexane 138.13
    cyclooctane 122.22
    cyclopentanol 897.89
    tetrahydropyran 3684.1
    tert-amyl methyl ether 1344.24
    2,5,8-trioxanonane 1111.27
    1-hexene 665.91
    2-isopropoxyethanol 810.35
    2,2,2-trifluoroethanol 94.07
    methyl butyrate 2052.78

    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