Methyl 2-methylundecanoate

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  • Identifiers

    CAS number
    55955-69-6

    Molecular formula
    C13H26O2

    SMILES
    CCCCCCCCCC(C)C(=O)OC

  • Odor profile

    Fragrance
    Fatty 72.23%
    Waxy 67.72%
    Oily 65.27%
    Fruity 63.94%
    Sweet 40.23%
    Floral 38.82%
    Creamy 38.31%
    Winey 38.18%
    Green 37.33%
    Herbal 34.65%

     

    Flavor
    Waxy 65.92%
    Oily 51.14%
    Fruity 47.26%
    Soapy 40.43%
    Floral 40.02%
    Fatty 36.03%
    Sweet 33.09%
    Mild 31.62%
    Creamy 31.11%
    Green 30.43%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    8.0 (neutral)

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 103.94 ˚C est.

  • Synonyms

    • Methyl 2-methylundecanoate
    • 55955-69-6
    • Methyl ester of 2-methylundecanoic acid
    • Undecanoic acid, 2-methyl-, methyl ester
    • DTXSID70339970
    • Methyl 2-methylundecanoate #
    • SCHEMBL4957857
    • DTXCID40291051
    • 2-methyl-undecanoic acid methyl ester

  • Applications

    Methyl 2-methylundecanoate (CAS 55955-69-6) is primarily used as a fragrance ingredient in perfumery and cosmetic products, providing a long-chain ester scent profile and acting as a fixative to help retain aroma. It is also used as a flavor component in limited formulations, delivering subtle fruity notes in certain confections or beverages where permitted. In cosmetics and personal care, it appears as a fragrance additive in creams, lotions, and bath products. It can serve as an intermediate in organic synthesis for preparing other esters or aroma compounds. In household products, it is used in air fresheners, detergents, and cleaners to impart a pleasant fragrance. In industrial manufacturing, it can function as a solvent or carrier for fragrance oils and as a raw material for fragrance-formulation development, subject to regulatory limits and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9733.96
    methanol 8772.99
    isopropanol 10498.3
    water 0.08
    ethyl acetate 16247.16
    n-propanol 9295.83
    acetone 17952.7
    n-butanol 8234.07
    acetonitrile 12574.4
    DMF 9003.36
    toluene 4259.93
    isobutanol 7349.53
    1,4-dioxane 12580.82
    methyl acetate 9634.24
    THF 13858.46
    2-butanone 14095.81
    n-pentanol 5648.92
    sec-butanol 9145.3
    n-hexane 2336.64
    ethylene glycol 266.7
    NMP 5672.65
    cyclohexane 3716.4
    DMSO 7464.05
    n-butyl acetate 11197.36
    n-octanol 1930.77
    chloroform 16806.09
    n-propyl acetate 11025.87
    acetic acid 4159.86
    dichloromethane 17018.64
    cyclohexanone 17223.81
    propylene glycol 766.65
    isopropyl acetate 9998.51
    DMAc 5580.68
    2-ethoxyethanol 6079.88
    isopentanol 8208.11
    n-heptane 843.35
    ethyl formate 6669.43
    1,2-dichloroethane 13454.13
    n-hexanol 4586.33
    2-methoxyethanol 8435.51
    isobutyl acetate 5278.41
    tetrachloromethane 3631.51
    n-pentyl acetate 6145.63
    transcutol 14395.14
    n-heptanol 2052.14
    ethylbenzene 2370.88
    MIBK 6311.41
    2-propoxyethanol 6020.7
    tert-butanol 12758.59
    MTBE 17435.67
    2-butoxyethanol 3584.53
    propionic acid 4478.51
    o-xylene 2206.6
    formic acid 596.21
    diethyl ether 18452.68
    m-xylene 2428.16
    p-xylene 2971.53
    chlorobenzene 5398.14
    dimethyl carbonate 1318.96
    n-octane 337.17
    formamide 1422.62
    cyclopentanone 12361.4
    2-pentanone 13085.89
    anisole 3880.93
    cyclopentyl methyl ether 10162.37
    gamma-butyrolactone 10509.82
    1-methoxy-2-propanol 6487.61
    pyridine 10987.67
    3-pentanone 7611.4
    furfural 6461.64
    n-dodecane 152.3
    diethylene glycol 1959.5
    diisopropyl ether 4436.41
    tert-amyl alcohol 10064.64
    acetylacetone 8566.08
    n-hexadecane 192.03
    acetophenone 3227.0
    methyl propionate 7561.09
    isopentyl acetate 8828.84
    trichloroethylene 18271.47
    n-nonanol 1617.64
    cyclohexanol 8437.86
    benzyl alcohol 2489.19
    2-ethylhexanol 3370.82
    isooctanol 1954.51
    dipropyl ether 6219.55
    1,2-dichlorobenzene 4427.15
    ethyl lactate 1656.69
    propylene carbonate 5261.47
    n-methylformamide 4967.12
    2-pentanol 7018.76
    n-pentane 1535.66
    1-propoxy-2-propanol 5689.53
    1-methoxy-2-propyl acetate 5889.24
    2-(2-methoxypropoxy) propanol 2049.98
    mesitylene 1596.08
    ε-caprolactone 12452.82
    p-cymene 1218.75
    epichlorohydrin 13139.23
    1,1,1-trichloroethane 13875.34
    2-aminoethanol 1414.17
    morpholine-4-carbaldehyde 6413.48
    sulfolane 8101.0
    2,2,4-trimethylpentane 624.93
    2-methyltetrahydrofuran 16264.3
    n-hexyl acetate 5765.3
    isooctane 502.31
    2-(2-butoxyethoxy)ethanol 3285.86
    sec-butyl acetate 7053.62
    tert-butyl acetate 8617.16
    decalin 1001.85
    glycerin 747.81
    diglyme 7496.21
    acrylic acid 2226.84
    isopropyl myristate 1527.01
    n-butyric acid 10194.65
    acetyl acetate 5501.33
    di(2-ethylhexyl) phthalate 963.62
    ethyl propionate 7887.49
    nitromethane 9830.5
    1,2-diethoxyethane 9427.98
    benzonitrile 4851.66
    trioctyl phosphate 792.99
    1-bromopropane 10857.77
    gamma-valerolactone 13865.91
    n-decanol 966.85
    triethyl phosphate 1382.29
    4-methyl-2-pentanol 3261.0
    propionitrile 10230.94
    vinylene carbonate 4381.32
    1,1,2-trichlorotrifluoroethane 5765.25
    DMS 2598.46
    cumene 1349.43
    2-octanol 1806.09
    2-hexanone 8632.03
    octyl acetate 1824.19
    limonene 2339.65
    1,2-dimethoxyethane 12872.74
    ethyl orthosilicate 1504.93
    tributyl phosphate 1169.86
    diacetone alcohol 5700.42
    N,N-dimethylaniline 2074.16
    acrylonitrile 8105.92
    aniline 4478.93
    1,3-propanediol 3101.2
    bromobenzene 6092.44
    dibromomethane 12908.33
    1,1,2,2-tetrachloroethane 14933.63
    2-methyl-cyclohexyl acetate 2925.28
    tetrabutyl urea 1377.31
    diisobutyl methanol 1804.91
    2-phenylethanol 2340.75
    styrene 3256.86
    dioctyl adipate 1879.0
    dimethyl sulfate 1682.07
    ethyl butyrate 6720.82
    methyl lactate 1503.34
    butyl lactate 2744.0
    diethyl carbonate 2976.71
    propanediol butyl ether 2310.56
    triethyl orthoformate 3451.74
    p-tert-butyltoluene 1124.36
    methyl 4-tert-butylbenzoate 2093.44
    morpholine 18191.17
    tert-butylamine 8469.88
    n-dodecanol 651.37
    dimethoxymethane 6186.4
    ethylene carbonate 4805.08
    cyrene 1508.84
    2-ethoxyethyl acetate 5779.69
    2-ethylhexyl acetate 6288.05
    1,2,4-trichlorobenzene 4434.66
    4-methylpyridine 11107.28
    dibutyl ether 5260.88
    2,6-dimethyl-4-heptanol 1804.91
    DEF 11968.36
    dimethyl isosorbide 3464.63
    tetrachloroethylene 9954.18
    eugenol 1847.39
    triacetin 2905.28
    span 80 2038.96
    1,4-butanediol 1156.73
    1,1-dichloroethane 16163.51
    2-methyl-1-pentanol 4997.8
    methyl formate 2810.66
    2-methyl-1-butanol 7046.98
    n-decane 379.82
    butyronitrile 12766.77
    3,7-dimethyl-1-octanol 2165.11
    1-chlorooctane 1880.9
    1-chlorotetradecane 493.78
    n-nonane 421.2
    undecane 221.07
    tert-butylcyclohexane 863.67
    cyclooctane 818.53
    cyclopentanol 6823.05
    tetrahydropyran 21970.56
    tert-amyl methyl ether 9273.07
    2,5,8-trioxanonane 3386.41
    1-hexene 7585.33
    2-isopropoxyethanol 4685.65
    2,2,2-trifluoroethanol 990.73
    methyl butyrate 11753.52

    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