Methyl 12-methyltetradecanoate

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  • Identifiers

    CAS number
    5129-66-8

    Molecular formula
    C16H32O2

    SMILES
    CCC(C)CCCCCCCCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 76.75%
    Fatty 72.63%
    Oily 60.56%
    Sweet 37.45%
    Creamy 35.99%
    Dairy 29.22%
    Fruity 29.11%
    Milky 27.41%
    Soapy 26.41%
    Odorless 25.06%

     

    Flavor
    Waxy 64.25%
    Oily 47.86%
    Fatty 43.64%
    Mild 37.97%
    Soapy 36.28%
    Fat 34.5%
    Coconut 32.56%
    Creamy 28.84%
    Bland 27.63%
    Faint 26.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    7.76 (neutral)

    Molecular weight
    256.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point

    • 129.23 ˚C est.

  • Synonyms

    • METHYL 12-METHYLTETRADECANOATE
    • 12-Methyltetradecanoic acid methyl ester
    • Tetradecanoic acid, 12-methyl-, methyl ester
    • CHEBI:142658
    • DTXSID20965581
    • Methyl tetradecanoate, 12-methyl
    • RefChem:157172
    • Methyl 12-methylmyristic acid
    • 12-Methylmyristate methyl ester
    • DTXCID901393247
    • Methyl 12-methyltetradecanoic acid
    • 12-Methyltetradecanoate methyl ester
    • BJIUDNXPLSJWKE-UHFFFAOYSA-N
    • 5129-66-8
    • Methyl 12-methylmyristate
    • METHYL12-METHYLTETRADECANOATE
    • orb1693039
    • SCHEMBL2499676
    • methyl 12-methyl tetradeca-noate
    • 12-methylmyristic acid methyl ester
    • MFCD00053774
    • 12-methyl Myristic Acid methyl ester
    • AKOS040755711
    • HY-W127497
    • PD077351
    • CS-0185725
    • NS00076560
    • 2819F46C-BD79-404E-8476-D485872B5904
    • 5129-66-8

  • Applications

    Methyl 12-methyltetradecanoate (CAS 5129-66-8) is used in fragrance and cosmetics formulations as a long-chain ester that can function as a fragrance ingredient and a mild fixative, helping to modulate aroma notes in perfumery. It is also employed as a solvent and carrier in personal care products, contributing to texture and formulation of creams and lotions. In industrial manufacturing it can serve as a processing solvent or intermediate for the synthesis of specialty esters and lubricants. In polymers and coatings, it may act as a plasticizer or processing aid in certain resins and formulations. It can also be used as a high-boiling solvent or diluent in coatings and inks, and as a solvent component in cleaning products. Its use is typically governed by formulation needs and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1094.46
    methanol 681.89
    isopropanol 1350.2
    water 0.01
    ethyl acetate 3014.83
    n-propanol 1169.33
    acetone 2225.27
    n-butanol 1191.79
    acetonitrile 882.15
    DMF 1412.54
    toluene 808.14
    isobutanol 1003.82
    1,4-dioxane 2907.46
    methyl acetate 1429.36
    THF 4547.12
    2-butanone 2587.8
    n-pentanol 842.82
    sec-butanol 1289.56
    n-hexane 285.59
    ethylene glycol 21.82
    NMP 1446.17
    cyclohexane 774.76
    DMSO 1661.92
    n-butyl acetate 2202.84
    n-octanol 362.57
    chloroform 3736.93
    n-propyl acetate 2473.84
    acetic acid 484.06
    dichloromethane 3677.83
    cyclohexanone 4373.36
    propylene glycol 106.07
    isopropyl acetate 2186.17
    DMAc 1567.61
    2-ethoxyethanol 1336.94
    isopentanol 1299.58
    n-heptane 147.01
    ethyl formate 929.35
    1,2-dichloroethane 2883.68
    n-hexanol 710.45
    2-methoxyethanol 1558.71
    isobutyl acetate 1328.74
    tetrachloromethane 691.04
    n-pentyl acetate 1534.8
    transcutol 4830.7
    n-heptanol 368.51
    ethylbenzene 497.49
    MIBK 1650.19
    2-propoxyethanol 1265.58
    tert-butanol 1930.5
    MTBE 3135.37
    2-butoxyethanol 888.73
    propionic acid 578.3
    o-xylene 523.9
    formic acid 56.27
    diethyl ether 2928.21
    m-xylene 543.18
    p-xylene 650.82
    chlorobenzene 1114.94
    dimethyl carbonate 224.26
    n-octane 56.66
    formamide 143.75
    cyclopentanone 3096.89
    2-pentanone 2632.87
    anisole 998.56
    cyclopentyl methyl ether 2654.47
    gamma-butyrolactone 2403.59
    1-methoxy-2-propanol 1610.59
    pyridine 2155.25
    3-pentanone 1520.15
    furfural 1650.61
    n-dodecane 27.26
    diethylene glycol 370.71
    diisopropyl ether 866.23
    tert-amyl alcohol 1642.38
    acetylacetone 2143.8
    n-hexadecane 35.31
    acetophenone 912.01
    methyl propionate 1340.38
    isopentyl acetate 2027.83
    trichloroethylene 4008.71
    n-nonanol 336.64
    cyclohexanol 1580.0
    benzyl alcohol 597.24
    2-ethylhexanol 641.77
    isooctanol 405.64
    dipropyl ether 1511.59
    1,2-dichlorobenzene 1087.19
    ethyl lactate 462.45
    propylene carbonate 1259.32
    n-methylformamide 522.79
    2-pentanol 1007.82
    n-pentane 163.95
    1-propoxy-2-propanol 1355.98
    1-methoxy-2-propyl acetate 1654.31
    2-(2-methoxypropoxy) propanol 738.72
    mesitylene 384.19
    ε-caprolactone 3112.51
    p-cymene 306.83
    epichlorohydrin 3532.85
    1,1,1-trichloroethane 3001.39
    2-aminoethanol 155.3
    morpholine-4-carbaldehyde 1825.29
    sulfolane 2456.64
    2,2,4-trimethylpentane 106.26
    2-methyltetrahydrofuran 4214.6
    n-hexyl acetate 1512.86
    isooctane 83.31
    2-(2-butoxyethoxy)ethanol 1126.94
    sec-butyl acetate 1774.52
    tert-butyl acetate 2341.82
    decalin 215.32
    glycerin 125.57
    diglyme 2615.31
    acrylic acid 256.07
    isopropyl myristate 454.62
    n-butyric acid 1763.22
    acetyl acetate 1128.79
    di(2-ethylhexyl) phthalate 296.79
    ethyl propionate 1885.9
    nitromethane 1252.5
    1,2-diethoxyethane 2507.93
    benzonitrile 911.98
    trioctyl phosphate 226.19
    1-bromopropane 2278.43
    gamma-valerolactone 4032.98
    n-decanol 210.93
    triethyl phosphate 496.62
    4-methyl-2-pentanol 615.57
    propionitrile 1087.84
    vinylene carbonate 910.11
    1,1,2-trichlorotrifluoroethane 1497.43
    DMS 685.73
    cumene 327.64
    2-octanol 338.5
    2-hexanone 2036.15
    octyl acetate 511.76
    limonene 628.04
    1,2-dimethoxyethane 3357.46
    ethyl orthosilicate 520.48
    tributyl phosphate 328.08
    diacetone alcohol 1635.77
    N,N-dimethylaniline 594.96
    acrylonitrile 838.0
    aniline 799.54
    1,3-propanediol 458.23
    bromobenzene 1295.36
    dibromomethane 2634.42
    1,1,2,2-tetrachloroethane 3795.86
    2-methyl-cyclohexyl acetate 1051.37
    tetrabutyl urea 437.01
    diisobutyl methanol 440.63
    2-phenylethanol 587.22
    styrene 641.17
    dioctyl adipate 656.69
    dimethyl sulfate 394.29
    ethyl butyrate 1808.18
    methyl lactate 317.98
    butyl lactate 753.02
    diethyl carbonate 815.27
    propanediol butyl ether 582.59
    triethyl orthoformate 1107.58
    p-tert-butyltoluene 291.89
    methyl 4-tert-butylbenzoate 738.28
    morpholine 4468.33
    tert-butylamine 1189.78
    n-dodecanol 145.17
    dimethoxymethane 1260.5
    ethylene carbonate 991.0
    cyrene 576.43
    2-ethoxyethyl acetate 1656.37
    2-ethylhexyl acetate 1530.82
    1,2,4-trichlorobenzene 1179.44
    4-methylpyridine 2217.77
    dibutyl ether 1332.45
    2,6-dimethyl-4-heptanol 440.63
    DEF 2453.06
    dimethyl isosorbide 1436.65
    tetrachloroethylene 2220.74
    eugenol 605.81
    triacetin 1068.09
    span 80 693.64
    1,4-butanediol 152.33
    1,1-dichloroethane 3157.94
    2-methyl-1-pentanol 853.29
    methyl formate 295.1
    2-methyl-1-butanol 1087.79
    n-decane 69.96
    butyronitrile 1631.83
    3,7-dimethyl-1-octanol 488.14
    1-chlorooctane 405.81
    1-chlorotetradecane 110.07
    n-nonane 75.0
    undecane 40.46
    tert-butylcyclohexane 171.82
    cyclooctane 151.15
    cyclopentanol 1295.96
    tetrahydropyran 5308.38
    tert-amyl methyl ether 1849.06
    2,5,8-trioxanonane 1322.84
    1-hexene 1093.49
    2-isopropoxyethanol 1162.77
    2,2,2-trifluoroethanol 124.82
    methyl butyrate 2594.91

    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