Methyl 2-methyltridecanoate

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  • Identifiers

    CAS number
    55955-78-7

    Molecular formula
    C15H30O2

    SMILES
    CCCCCCCCCCCC(C)C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 73.18%
    Waxy 70.29%
    Oily 64.68%
    Fruity 47.03%
    Creamy 36.89%
    Sweet 34.16%
    Dairy 31.77%
    Milky 29.44%
    Soapy 27.83%
    Floral 27.0%

     

    Flavor
    Waxy 64.19%
    Oily 49.37%
    Fatty 39.25%
    Soapy 37.44%
    Mild 35.99%
    Fruity 31.51%
    Fat 30.37%
    Floral 29.21%
    Creamy 29.01%
    Coconut 28.02%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    7.7 (neutral)

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    290°C

    Flash point

    • 120.87 ˚C est.

  • Synonyms

    • Methyl 2-methyltridecanoate
    • 55955-78-7
    • Tridecanoic acid, 2-methyl-, methyl ester
    • DTXSID00971362
    • RefChem:354422
    • DTXCID701398877
    • HWADSXPGNJZHGI-UHFFFAOYSA-N
    • 2-Methyltridecanoic acid methyl ester
    • Methyl 2-methyltridecanoate #
    • SCHEMBL15133507
    • 55955-78-7

  • Applications

    Methyl 2-methyltridecanoate (CAS 55955-78-7) is a long-chain fatty ester used primarily as a fragrance ingredient in perfumery and personal care, where it can function as a lightweight solvent and emollient in cosmetic formulations; in flavor and food-related contexts it may be evaluated for aroma applications within safe usage limits; in the plastics and polymers sector it can act as a plasticizer or processing aid; in cleaning and household or industrial formulations it can serve as a non-polar solvent or carrier for active components; and in chemical manufacturing it is often used as an intermediate for the synthesis of other esters or fragrance compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3843.6
    methanol 2910.54
    isopropanol 5033.62
    water 0.04
    ethyl acetate 10492.28
    n-propanol 4257.96
    acetone 9442.44
    n-butanol 4297.92
    acetonitrile 5503.47
    DMF 5880.78
    toluene 3057.37
    isobutanol 3798.27
    1,4-dioxane 8030.89
    methyl acetate 5882.51
    THF 10039.43
    2-butanone 8664.45
    n-pentanol 2877.58
    sec-butanol 4617.44
    n-hexane 1496.32
    ethylene glycol 100.48
    NMP 4730.39
    cyclohexane 3170.18
    DMSO 4639.23
    n-butyl acetate 7532.63
    n-octanol 1291.49
    chloroform 12511.61
    n-propyl acetate 7998.45
    acetic acid 2122.21
    dichloromethane 12893.51
    cyclohexanone 13032.46
    propylene glycol 345.77
    isopropyl acetate 7209.23
    DMAc 4503.55
    2-ethoxyethanol 3565.96
    isopentanol 4505.23
    n-heptane 699.34
    ethyl formate 4021.71
    1,2-dichloroethane 10077.62
    n-hexanol 2375.62
    2-methoxyethanol 4586.61
    isobutyl acetate 3922.0
    tetrachloromethane 2995.31
    n-pentyl acetate 5049.04
    transcutol 9406.14
    n-heptanol 1344.46
    ethylbenzene 1737.64
    MIBK 4893.91
    2-propoxyethanol 3539.91
    tert-butanol 6558.93
    MTBE 10247.12
    2-butoxyethanol 2501.78
    propionic acid 2462.77
    o-xylene 1777.96
    formic acid 261.42
    diethyl ether 10827.7
    m-xylene 1890.74
    p-xylene 2358.56
    chlorobenzene 4050.01
    dimethyl carbonate 972.91
    n-octane 280.5
    formamide 669.99
    cyclopentanone 9574.37
    2-pentanone 8710.46
    anisole 2909.72
    cyclopentyl methyl ether 7629.73
    gamma-butyrolactone 8027.1
    1-methoxy-2-propanol 4075.46
    pyridine 7325.94
    3-pentanone 5375.89
    furfural 4966.3
    n-dodecane 120.28
    diethylene glycol 1074.13
    diisopropyl ether 3101.46
    tert-amyl alcohol 5486.46
    acetylacetone 6278.53
    n-hexadecane 153.51
    acetophenone 2598.21
    methyl propionate 5090.0
    isopentyl acetate 6299.24
    trichloroethylene 13969.48
    n-nonanol 1143.07
    cyclohexanol 5392.36
    benzyl alcohol 1754.33
    2-ethylhexanol 2134.52
    isooctanol 1357.6
    dipropyl ether 4587.54
    1,2-dichlorobenzene 3647.32
    ethyl lactate 1274.78
    propylene carbonate 4186.4
    n-methylformamide 2719.77
    2-pentanol 3858.77
    n-pentane 971.67
    1-propoxy-2-propanol 3738.72
    1-methoxy-2-propyl acetate 4419.33
    2-(2-methoxypropoxy) propanol 1540.9
    mesitylene 1298.06
    ε-caprolactone 9628.12
    p-cymene 1020.39
    epichlorohydrin 9759.99
    1,1,1-trichloroethane 10952.02
    2-aminoethanol 575.11
    morpholine-4-carbaldehyde 5068.28
    sulfolane 6907.78
    2,2,4-trimethylpentane 466.24
    2-methyltetrahydrofuran 11566.55
    n-hexyl acetate 4634.32
    isooctane 363.26
    2-(2-butoxyethoxy)ethanol 2439.59
    sec-butyl acetate 5331.05
    tert-butyl acetate 6645.3
    decalin 822.77
    glycerin 382.62
    diglyme 5837.11
    acrylic acid 1226.92
    isopropyl myristate 1275.46
    n-butyric acid 6367.0
    acetyl acetate 4000.35
    di(2-ethylhexyl) phthalate 776.77
    ethyl propionate 6054.74
    nitromethane 5713.81
    1,2-diethoxyethane 6309.61
    benzonitrile 3303.15
    trioctyl phosphate 645.15
    1-bromopropane 7951.88
    gamma-valerolactone 10600.64
    n-decanol 675.48
    triethyl phosphate 1267.54
    4-methyl-2-pentanol 2080.08
    propionitrile 5363.15
    vinylene carbonate 3264.2
    1,1,2-trichlorotrifluoroethane 4321.01
    DMS 2134.46
    cumene 1053.97
    2-octanol 1275.53
    2-hexanone 5835.32
    octyl acetate 1490.15
    limonene 1970.32
    1,2-dimethoxyethane 8780.82
    ethyl orthosilicate 1360.26
    tributyl phosphate 934.85
    diacetone alcohol 4200.11
    N,N-dimethylaniline 1695.34
    acrylonitrile 4324.67
    aniline 2859.82
    1,3-propanediol 1531.52
    bromobenzene 4847.73
    dibromomethane 9538.73
    1,1,2,2-tetrachloroethane 11831.67
    2-methyl-cyclohexyl acetate 2537.68
    tetrabutyl urea 1166.46
    diisobutyl methanol 1311.61
    2-phenylethanol 1601.04
    styrene 2317.58
    dioctyl adipate 1643.25
    dimethyl sulfate 1389.29
    ethyl butyrate 5454.96
    methyl lactate 1051.58
    butyl lactate 2212.66
    diethyl carbonate 2417.74
    propanediol butyl ether 1570.04
    triethyl orthoformate 2936.79
    p-tert-butyltoluene 935.85
    methyl 4-tert-butylbenzoate 1874.52
    morpholine 11441.19
    tert-butylamine 4459.4
    n-dodecanol 459.49
    dimethoxymethane 4141.38
    ethylene carbonate 3645.77
    cyrene 1245.9
    2-ethoxyethyl acetate 4519.14
    2-ethylhexyl acetate 4843.55
    1,2,4-trichlorobenzene 3761.38
    4-methylpyridine 7403.87
    dibutyl ether 4064.99
    2,6-dimethyl-4-heptanol 1311.61
    DEF 8522.4
    dimethyl isosorbide 2939.15
    tetrachloroethylene 7841.65
    eugenol 1521.95
    triacetin 2609.85
    span 80 1578.71
    1,4-butanediol 577.04
    1,1-dichloroethane 11282.27
    2-methyl-1-pentanol 2750.1
    methyl formate 1611.71
    2-methyl-1-butanol 3927.32
    n-decane 308.25
    butyronitrile 6867.54
    3,7-dimethyl-1-octanol 1518.19
    1-chlorooctane 1531.29
    1-chlorotetradecane 396.27
    n-nonane 341.61
    undecane 175.04
    tert-butylcyclohexane 667.21
    cyclooctane 720.4
    cyclopentanol 4440.42
    tetrahydropyran 14662.02
    tert-amyl methyl ether 6087.72
    2,5,8-trioxanonane 2636.85
    1-hexene 4334.29
    2-isopropoxyethanol 2932.1
    2,2,2-trifluoroethanol 628.64
    methyl butyrate 8613.44

    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