Methyl 9-methyldecanoate

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  • Identifiers

    CAS number
    5129-55-5

    Molecular formula
    C12H24O2

    SMILES
    CC(C)CCCCCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 63.93%
    Waxy 62.78%
    Oily 62.61%
    Fatty 61.38%
    Sweet 52.93%
    Floral 50.39%
    Winey 46.02%
    Rose 42.08%
    Herbal 38.98%
    Creamy 35.17%

     

    Flavor
    Waxy 59.02%
    Oily 52.3%
    Floral 44.47%
    Soapy 40.76%
    Fruity 40.07%
    Fatty 33.62%
    Sweet 30.33%
    Coconut 30.06%
    Mild 29.97%
    Creamy 29.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    8.31 (weak base)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    239°C

    Flash point

    • 97.08 ˚C est.

  • Synonyms

    • METHYL 9-METHYLDECANOATE
    • 5129-55-5
    • Decanoic acid,9-methyl-,methyl ester
    • 9-methyldecanoic acid methyl ester
    • Decanoic acid, 9-methyl-, methyl ester
    • methyl 9-methyl decanoate
    • CG246XB6HZ
    • SCHEMBL17188625
    • DTXSID50509477
    • Methyl isoundecanoate (i-11:0)
    • XUSHLLPSFVAOHS-UHFFFAOYSA-N
    • 5129-55-5

  • Applications

    Methyl 9-methyldecanoate (CAS 5129-55-5) is used primarily as a fragrance ingredient and odorant in perfumery and cosmetics, providing a waxy, fruity note depending on formulation. It is commonly evaluated as an aroma compound or intermediate in fragrance synthesis and can be employed as a flavor precursor in flavor applications. In industrial formulations, it may function as a solvent or processing aid in coatings and inks, and as a plasticizer or processing aid in certain polymers and plastics, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5702.89
    methanol 4872.35
    isopropanol 5542.59
    water 0.05
    ethyl acetate 5424.11
    n-propanol 4551.84
    acetone 7275.7
    n-butanol 3860.43
    acetonitrile 3812.01
    DMF 3120.98
    toluene 1262.94
    isobutanol 3255.49
    1,4-dioxane 5287.67
    methyl acetate 3159.81
    THF 7130.76
    2-butanone 5086.29
    n-pentanol 2715.88
    sec-butanol 4156.8
    n-hexane 875.7
    ethylene glycol 208.15
    NMP 1871.91
    cyclohexane 1017.82
    DMSO 3690.15
    n-butyl acetate 3333.12
    n-octanol 755.28
    chloroform 6038.72
    n-propyl acetate 3323.85
    acetic acid 1996.9
    dichloromethane 5432.82
    cyclohexanone 5893.37
    propylene glycol 672.15
    isopropyl acetate 3302.21
    DMAc 1924.22
    2-ethoxyethanol 2895.7
    isopentanol 3437.44
    n-heptane 250.63
    ethyl formate 2046.01
    1,2-dichloroethane 3956.31
    n-hexanol 2263.09
    2-methoxyethanol 4127.07
    isobutyl acetate 1739.35
    tetrachloromethane 992.09
    n-pentyl acetate 1703.12
    transcutol 7138.72
    n-heptanol 779.59
    ethylbenzene 710.79
    MIBK 2323.81
    2-propoxyethanol 2877.49
    tert-butanol 6202.01
    MTBE 5763.34
    2-butoxyethanol 1485.89
    propionic acid 1833.62
    o-xylene 721.76
    formic acid 314.67
    diethyl ether 6170.63
    m-xylene 832.88
    p-xylene 902.98
    chlorobenzene 1632.93
    dimethyl carbonate 395.57
    n-octane 90.76
    formamide 593.06
    cyclopentanone 4409.04
    2-pentanone 4764.39
    anisole 1321.56
    cyclopentyl methyl ether 3846.31
    gamma-butyrolactone 3647.31
    1-methoxy-2-propanol 3428.64
    pyridine 3444.18
    3-pentanone 2369.28
    furfural 2451.69
    n-dodecane 48.5
    diethylene glycol 1175.78
    diisopropyl ether 1358.68
    tert-amyl alcohol 4313.46
    acetylacetone 3045.12
    n-hexadecane 59.36
    acetophenone 1068.03
    methyl propionate 2385.92
    isopentyl acetate 2733.4
    trichloroethylene 5797.2
    n-nonanol 616.25
    cyclohexanol 3331.02
    benzyl alcohol 1075.45
    2-ethylhexanol 1324.82
    isooctanol 700.35
    dipropyl ether 2169.34
    1,2-dichlorobenzene 1346.53
    ethyl lactate 734.57
    propylene carbonate 1874.68
    n-methylformamide 1607.61
    2-pentanol 2920.28
    n-pentane 472.61
    1-propoxy-2-propanol 2540.82
    1-methoxy-2-propyl acetate 2211.81
    2-(2-methoxypropoxy) propanol 1084.66
    mesitylene 535.13
    ε-caprolactone 4066.59
    p-cymene 391.61
    epichlorohydrin 4937.02
    1,1,1-trichloroethane 4229.01
    2-aminoethanol 967.78
    morpholine-4-carbaldehyde 2629.48
    sulfolane 3228.57
    2,2,4-trimethylpentane 193.08
    2-methyltetrahydrofuran 6564.42
    n-hexyl acetate 1941.03
    isooctane 162.29
    2-(2-butoxyethoxy)ethanol 1703.88
    sec-butyl acetate 2175.01
    tert-butyl acetate 2983.03
    decalin 319.13
    glycerin 580.78
    diglyme 3290.76
    acrylic acid 934.83
    isopropyl myristate 562.76
    n-butyric acid 4043.97
    acetyl acetate 1794.17
    di(2-ethylhexyl) phthalate 426.03
    ethyl propionate 2372.35
    nitromethane 3258.19
    1,2-diethoxyethane 3290.27
    benzonitrile 1551.56
    trioctyl phosphate 321.1
    1-bromopropane 3448.38
    gamma-valerolactone 5436.54
    n-decanol 406.97
    triethyl phosphate 504.71
    4-methyl-2-pentanol 1335.88
    propionitrile 3050.93
    vinylene carbonate 1455.75
    1,1,2-trichlorotrifluoroethane 2463.18
    DMS 893.35
    cumene 455.06
    2-octanol 633.0
    2-hexanone 3317.85
    octyl acetate 671.2
    limonene 763.61
    1,2-dimethoxyethane 4988.37
    ethyl orthosilicate 553.38
    tributyl phosphate 464.11
    diacetone alcohol 2458.76
    N,N-dimethylaniline 716.1
    acrylonitrile 2450.31
    aniline 1641.39
    1,3-propanediol 1811.97
    bromobenzene 1771.8
    dibromomethane 4159.62
    1,1,2,2-tetrachloroethane 4960.74
    2-methyl-cyclohexyl acetate 1134.32
    tetrabutyl urea 525.84
    diisobutyl methanol 701.96
    2-phenylethanol 1018.76
    styrene 974.7
    dioctyl adipate 779.32
    dimethyl sulfate 564.65
    ethyl butyrate 2020.37
    methyl lactate 680.86
    butyl lactate 969.51
    diethyl carbonate 960.38
    propanediol butyl ether 1149.87
    triethyl orthoformate 1112.57
    p-tert-butyltoluene 376.85
    methyl 4-tert-butylbenzoate 810.66
    morpholine 8051.47
    tert-butylamine 3630.84
    n-dodecanol 281.15
    dimethoxymethane 2212.9
    ethylene carbonate 1491.92
    cyrene 780.54
    2-ethoxyethyl acetate 1849.35
    2-ethylhexyl acetate 1916.02
    1,2,4-trichlorobenzene 1448.3
    4-methylpyridine 3530.86
    dibutyl ether 1769.22
    2,6-dimethyl-4-heptanol 701.96
    DEF 3537.65
    dimethyl isosorbide 1620.23
    tetrachloroethylene 3111.09
    eugenol 778.18
    triacetin 1205.12
    span 80 1068.96
    1,4-butanediol 633.92
    1,1-dichloroethane 5256.3
    2-methyl-1-pentanol 2189.96
    methyl formate 866.53
    2-methyl-1-butanol 2931.06
    n-decane 115.41
    butyronitrile 3982.17
    3,7-dimethyl-1-octanol 861.74
    1-chlorooctane 601.33
    1-chlorotetradecane 169.29
    n-nonane 125.78
    undecane 69.74
    tert-butylcyclohexane 292.73
    cyclooctane 221.9
    cyclopentanol 3069.33
    tetrahydropyran 8633.97
    tert-amyl methyl ether 3028.08
    2,5,8-trioxanonane 1700.99
    1-hexene 3068.24
    2-isopropoxyethanol 2193.94
    2,2,2-trifluoroethanol 388.44
    methyl butyrate 3430.07

    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