Methyl 11-methyltridecanoate

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  • Identifiers

    CAS number
    5487-62-7

    Molecular formula
    C15H30O2

    SMILES
    CCC(C)CCCCCCCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 75.78%
    Fatty 72.73%
    Oily 61.59%
    Sweet 40.72%
    Creamy 37.71%
    Fruity 34.53%
    Floral 31.01%
    Dairy 30.46%
    Soapy 28.59%
    Milky 28.56%

     

    Flavor
    Waxy 65.18%
    Oily 49.49%
    Fatty 43.59%
    Soapy 38.57%
    Mild 37.17%
    Fat 34.65%
    Coconut 33.7%
    Creamy 30.52%
    Orris 27.91%
    Bland 26.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    7.94 (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

    • 119.64 ˚C est.

  • Synonyms

    • METHYL 11-METHYLTRIDECANOATE
    • 5487-62-7
    • DTXSID00556274
    • RefChem:353441
    • DTXCID30507057
    • 11-METHYLTRIDECANOIC ACID METHYL ESTER
    • 11-methyl-tridecanoic acid methyl ester
    • HY-166019
    • 5487-62-7

  • Applications

    Methyl 11-methyltridecanoate (CAS 5487-62-7) is a long-chain methyl ester of 11-methyltridecanoic acid, commonly used in several industrial and cosmetic contexts due to its lipophilic character. In perfumery, it serves as a fragrance ingredient and fragrance carrier, and is used as an emollient and solvent in cosmetic formulations. As an organic synthesis intermediate, it provides a building block for the preparation of specialty esters and fragrance-related compounds. In polymers and plastics, it can function as a plasticizer or processing aid to improve flexibility and processability. In coatings, inks, and other industrial formulations, it is used as a solvent or processing aid, and may be employed as a solvent component in cleaning products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2771.51
    methanol 1832.64
    isopropanol 3238.6
    water 0.01
    ethyl acetate 5426.93
    n-propanol 2663.44
    acetone 5104.39
    n-butanol 2487.65
    acetonitrile 2205.93
    DMF 2624.59
    toluene 1276.76
    isobutanol 2134.63
    1,4-dioxane 5317.28
    methyl acetate 2754.58
    THF 7466.88
    2-butanone 4758.07
    n-pentanol 1704.79
    sec-butanol 2720.14
    n-hexane 557.78
    ethylene glycol 58.89
    NMP 1976.54
    cyclohexane 1212.46
    DMSO 3207.75
    n-butyl acetate 3375.53
    n-octanol 578.56
    chloroform 5709.35
    n-propyl acetate 3803.04
    acetic acid 1044.01
    dichloromethane 5614.96
    cyclohexanone 6700.82
    propylene glycol 250.27
    isopropyl acetate 3567.87
    DMAc 2247.43
    2-ethoxyethanol 2428.16
    isopentanol 2526.38
    n-heptane 221.16
    ethyl formate 1738.37
    1,2-dichloroethane 4534.36
    n-hexanol 1379.94
    2-methoxyethanol 3123.44
    isobutyl acetate 1951.3
    tetrachloromethane 1030.61
    n-pentyl acetate 2072.16
    transcutol 6961.38
    n-heptanol 594.4
    ethylbenzene 723.91
    MIBK 2498.91
    2-propoxyethanol 2172.36
    tert-butanol 4221.73
    MTBE 5773.73
    2-butoxyethanol 1336.21
    propionic acid 1135.25
    o-xylene 752.62
    formic acid 122.5
    diethyl ether 5788.24
    m-xylene 812.56
    p-xylene 942.35
    chlorobenzene 1657.61
    dimethyl carbonate 376.34
    n-octane 82.99
    formamide 313.21
    cyclopentanone 4745.63
    2-pentanone 4613.03
    anisole 1437.83
    cyclopentyl methyl ether 4270.73
    gamma-butyrolactone 3723.0
    1-methoxy-2-propanol 2943.49
    pyridine 3616.14
    3-pentanone 2461.98
    furfural 2444.15
    n-dodecane 40.01
    diethylene glycol 678.47
    diisopropyl ether 1438.59
    tert-amyl alcohol 3241.83
    acetylacetone 3391.5
    n-hexadecane 51.2
    acetophenone 1233.41
    methyl propionate 2340.51
    isopentyl acetate 2982.95
    trichloroethylene 6009.95
    n-nonanol 506.33
    cyclohexanol 2843.65
    benzyl alcohol 926.07
    2-ethylhexanol 1051.05
    isooctanol 616.47
    dipropyl ether 2340.62
    1,2-dichlorobenzene 1523.2
    ethyl lactate 692.98
    propylene carbonate 1845.73
    n-methylformamide 1103.93
    2-pentanol 2033.35
    n-pentane 318.35
    1-propoxy-2-propanol 2170.4
    1-methoxy-2-propyl acetate 2388.65
    2-(2-methoxypropoxy) propanol 1006.31
    mesitylene 553.0
    ε-caprolactone 4575.06
    p-cymene 406.84
    epichlorohydrin 5452.85
    1,1,1-trichloroethane 4574.97
    2-aminoethanol 382.11
    morpholine-4-carbaldehyde 2683.54
    sulfolane 3492.51
    2,2,4-trimethylpentane 166.45
    2-methyltetrahydrofuran 6989.33
    n-hexyl acetate 2099.69
    isooctane 133.93
    2-(2-butoxyethoxy)ethanol 1557.41
    sec-butyl acetate 2635.49
    tert-butyl acetate 3485.12
    decalin 312.77
    glycerin 263.67
    diglyme 3626.53
    acrylic acid 504.03
    isopropyl myristate 611.97
    n-butyric acid 3200.02
    acetyl acetate 1852.4
    di(2-ethylhexyl) phthalate 399.45
    ethyl propionate 2869.98
    nitromethane 2487.37
    1,2-diethoxyethane 3812.24
    benzonitrile 1411.12
    trioctyl phosphate 306.73
    1-bromopropane 3769.21
    gamma-valerolactone 6091.49
    n-decanol 315.46
    triethyl phosphate 626.15
    4-methyl-2-pentanol 1060.95
    propionitrile 2241.15
    vinylene carbonate 1373.78
    1,1,2-trichlorotrifluoroethane 2234.53
    DMS 959.61
    cumene 460.99
    2-octanol 527.26
    2-hexanone 3255.31
    octyl acetate 685.47
    limonene 834.07
    1,2-dimethoxyethane 5428.96
    ethyl orthosilicate 663.01
    tributyl phosphate 450.4
    diacetone alcohol 2494.25
    N,N-dimethylaniline 802.3
    acrylonitrile 1683.21
    aniline 1392.16
    1,3-propanediol 1001.79
    bromobenzene 1896.9
    dibromomethane 4152.33
    1,1,2,2-tetrachloroethane 5503.25
    2-methyl-cyclohexyl acetate 1343.97
    tetrabutyl urea 562.7
    diisobutyl methanol 640.88
    2-phenylethanol 871.4
    styrene 992.54
    dioctyl adipate 849.99
    dimethyl sulfate 594.26
    ethyl butyrate 2526.9
    methyl lactate 540.18
    butyl lactate 1023.17
    diethyl carbonate 1137.59
    propanediol butyl ether 882.55
    triethyl orthoformate 1455.08
    p-tert-butyltoluene 392.51
    methyl 4-tert-butylbenzoate 928.81
    morpholine 8082.34
    tert-butylamine 2518.19
    n-dodecanol 217.36
    dimethoxymethane 2259.21
    ethylene carbonate 1527.55
    cyrene 753.29
    2-ethoxyethyl acetate 2263.58
    2-ethylhexyl acetate 2159.9
    1,2,4-trichlorobenzene 1618.58
    4-methylpyridine 3582.6
    dibutyl ether 1960.59
    2,6-dimethyl-4-heptanol 640.88
    DEF 3915.98
    dimethyl isosorbide 1805.33
    tetrachloroethylene 3296.33
    eugenol 781.3
    triacetin 1343.38
    span 80 953.64
    1,4-butanediol 322.02
    1,1-dichloroethane 5295.22
    2-methyl-1-pentanol 1508.9
    methyl formate 607.03
    2-methyl-1-butanol 2090.09
    n-decane 102.68
    butyronitrile 3171.54
    3,7-dimethyl-1-octanol 728.36
    1-chlorooctane 582.24
    1-chlorotetradecane 156.73
    n-nonane 109.72
    undecane 58.69
    tert-butylcyclohexane 260.35
    cyclooctane 235.25
    cyclopentanol 2383.36
    tetrahydropyran 9386.7
    tert-amyl methyl ether 3030.34
    2,5,8-trioxanonane 1765.08
    1-hexene 2142.56
    2-isopropoxyethanol 1949.77
    2,2,2-trifluoroethanol 234.14
    methyl butyrate 4000.13

    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