11-Methyltridecanoic acid

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  • Identifiers

    CAS number
    29709-05-5

    Molecular formula
    C14H28O2

    SMILES
    CCC(C)CCCCCCCCCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 78.13%
    Waxy 77.21%
    Oily 39.01%
    Creamy 33.12%
    Dairy 33.0%
    Milky 32.51%
    Citrus 27.84%
    Meaty 27.41%
    Soapy 27.24%
    Odorless 25.88%

     

    Flavor
    Fatty 62.53%
    Waxy 53.16%
    Fat 39.88%
    Oily 35.87%
    Mild 35.56%
    Coconut 34.77%
    Soapy 28.6%
    Faint 28.32%
    Creamy 27.88%
    Odorless 27.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    7.65 (neutral)

    Molecular weight
    228.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point

    • 154.1 ˚C est.

  • Synonyms

    • 11-Methyltridecanoic acid
    • 29709-05-5
    • DTXSID60398798
    • RefChem:437264
    • DTXCID90349657
    • 636-908-4
    • Tridecanoic acid, 11-methyl-
    • Anteisomyristic acid
    • Anteisotetradecanoic acid
    • 11-methyl-tridecanoic acid
    • LMFA01020190
    • SCHEMBL2345376
    • 11-METHYLTRIDECANOICACID
    • CHEBI:165370
    • JIPTZBYHWFNYFB-UHFFFAOYSA-N
    • MFCD00214331
    • HY-165808
    • 29709-05-5

  • Applications

    11-Methyltridecanoic acid (CAS 29709-05-5) is a long-chain branched fatty acid that is primarily used as an intermediate for the synthesis of branched esters and related compounds in industrial formulations. It is commonly processed to produce branched fatty esters employed in cosmetics and fragrances, and may serve as a precursor for surface-active derivatives and polymer-related components. In industrial applications, it is used to prepare specialty lubricants and lubricant basestock, and can be converted into plastics or plasticizer additives for coatings and polymers to tune mechanical and thermal properties. Additional potential uses include synthesis of compounds for personal care products, household detergents, and applications in coatings and inks due to its branched, stable hydrocarbon backbone. Its exact use depends on formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1947.61
    methanol 1325.01
    isopropanol 2124.11
    water 0.02
    ethyl acetate 1158.69
    n-propanol 1480.16
    acetone 1763.25
    n-butanol 1319.13
    acetonitrile 415.65
    DMF 1304.66
    toluene 253.87
    isobutanol 1168.25
    1,4-dioxane 1305.6
    methyl acetate 576.75
    THF 3707.06
    2-butanone 1484.37
    n-pentanol 1119.54
    sec-butanol 1318.15
    n-hexane 416.3
    ethylene glycol 52.42
    NMP 866.68
    cyclohexane 273.44
    DMSO 1876.51
    n-butyl acetate 1289.71
    n-octanol 332.08
    chloroform 867.33
    n-propyl acetate 1205.15
    acetic acid 362.78
    dichloromethane 880.66
    cyclohexanone 1789.59
    propylene glycol 235.73
    isopropyl acetate 1116.6
    DMAc 927.84
    2-ethoxyethanol 1212.71
    isopentanol 1360.12
    n-heptane 123.1
    ethyl formate 413.69
    1,2-dichloroethane 976.04
    n-hexanol 1001.2
    2-methoxyethanol 1559.36
    isobutyl acetate 802.84
    tetrachloromethane 200.88
    n-pentyl acetate 766.05
    transcutol 3096.17
    n-heptanol 427.61
    ethylbenzene 208.26
    MIBK 1084.43
    2-propoxyethanol 1371.72
    tert-butanol 2413.51
    MTBE 2415.19
    2-butoxyethanol 804.23
    propionic acid 455.54
    o-xylene 195.11
    formic acid 63.49
    diethyl ether 1838.97
    m-xylene 248.39
    p-xylene 263.64
    chlorobenzene 318.42
    dimethyl carbonate 110.31
    n-octane 43.21
    formamide 130.42
    cyclopentanone 1746.69
    2-pentanone 1635.68
    anisole 445.26
    cyclopentyl methyl ether 1627.95
    gamma-butyrolactone 1273.66
    1-methoxy-2-propanol 1695.65
    pyridine 726.62
    3-pentanone 698.06
    furfural 713.07
    n-dodecane 21.44
    diethylene glycol 543.67
    diisopropyl ether 609.02
    tert-amyl alcohol 1608.09
    acetylacetone 1061.73
    n-hexadecane 25.92
    acetophenone 406.2
    methyl propionate 599.09
    isopentyl acetate 1244.28
    trichloroethylene 1067.74
    n-nonanol 297.34
    cyclohexanol 1105.57
    benzyl alcohol 350.38
    2-ethylhexanol 620.18
    isooctanol 410.36
    dipropyl ether 1053.89
    1,2-dichlorobenzene 317.32
    ethyl lactate 296.98
    propylene carbonate 626.23
    n-methylformamide 483.91
    2-pentanol 1101.75
    n-pentane 166.94
    1-propoxy-2-propanol 1264.51
    1-methoxy-2-propyl acetate 1015.37
    2-(2-methoxypropoxy) propanol 526.07
    mesitylene 185.38
    ε-caprolactone 1254.42
    p-cymene 149.27
    epichlorohydrin 1632.65
    1,1,1-trichloroethane 752.11
    2-aminoethanol 342.52
    morpholine-4-carbaldehyde 980.94
    sulfolane 1581.17
    2,2,4-trimethylpentane 87.41
    2-methyltetrahydrofuran 2478.01
    n-hexyl acetate 828.73
    isooctane 83.51
    2-(2-butoxyethoxy)ethanol 900.61
    sec-butyl acetate 932.32
    tert-butyl acetate 1334.87
    decalin 119.6
    glycerin 228.37
    diglyme 1540.81
    acrylic acid 184.13
    isopropyl myristate 271.66
    n-butyric acid 1218.59
    acetyl acetate 371.92
    di(2-ethylhexyl) phthalate 195.63
    ethyl propionate 772.79
    nitromethane 601.72
    1,2-diethoxyethane 1447.07
    benzonitrile 358.19
    trioctyl phosphate 171.53
    1-bromopropane 881.79
    gamma-valerolactone 1920.02
    n-decanol 208.6
    triethyl phosphate 236.39
    4-methyl-2-pentanol 679.91
    propionitrile 497.02
    vinylene carbonate 378.9
    1,1,2-trichlorotrifluoroethane 751.66
    DMS 303.91
    cumene 168.38
    2-octanol 309.36
    2-hexanone 1365.92
    octyl acetate 309.37
    limonene 302.03
    1,2-dimethoxyethane 2012.23
    ethyl orthosilicate 269.66
    tributyl phosphate 217.43
    diacetone alcohol 1233.8
    N,N-dimethylaniline 303.36
    acrylonitrile 364.37
    aniline 373.84
    1,3-propanediol 706.35
    bromobenzene 338.75
    dibromomethane 733.53
    1,1,2,2-tetrachloroethane 1096.23
    2-methyl-cyclohexyl acetate 557.9
    tetrabutyl urea 277.42
    diisobutyl methanol 354.34
    2-phenylethanol 420.35
    styrene 246.93
    dioctyl adipate 358.95
    dimethyl sulfate 214.27
    ethyl butyrate 819.56
    methyl lactate 249.49
    butyl lactate 482.31
    diethyl carbonate 332.1
    propanediol butyl ether 590.22
    triethyl orthoformate 517.21
    p-tert-butyltoluene 161.28
    methyl 4-tert-butylbenzoate 401.08
    morpholine 2412.75
    tert-butylamine 1491.23
    n-dodecanol 147.75
    dimethoxymethane 984.58
    ethylene carbonate 409.09
    cyrene 399.54
    2-ethoxyethyl acetate 742.24
    2-ethylhexyl acetate 892.24
    1,2,4-trichlorobenzene 347.15
    4-methylpyridine 793.85
    dibutyl ether 761.12
    2,6-dimethyl-4-heptanol 354.34
    DEF 1229.73
    dimethyl isosorbide 868.44
    tetrachloroethylene 663.36
    eugenol 362.71
    triacetin 506.31
    span 80 508.13
    1,4-butanediol 257.13
    1,1-dichloroethane 995.36
    2-methyl-1-pentanol 920.81
    methyl formate 195.49
    2-methyl-1-butanol 1054.46
    n-decane 51.78
    butyronitrile 892.09
    3,7-dimethyl-1-octanol 429.67
    1-chlorooctane 260.19
    1-chlorotetradecane 73.87
    n-nonane 53.95
    undecane 31.32
    tert-butylcyclohexane 131.6
    cyclooctane 71.57
    cyclopentanol 1137.68
    tetrahydropyran 2608.77
    tert-amyl methyl ether 1226.95
    2,5,8-trioxanonane 850.99
    1-hexene 1157.2
    2-isopropoxyethanol 1029.23
    2,2,2-trifluoroethanol 79.94
    methyl butyrate 1124.47

    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