2,6,10-Trimethyldodecanoic acid

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  • Identifiers

    CAS number
    168254-98-6

    Molecular formula
    C15H30O2

    SMILES
    CCC(C)CCCC(C)CCCC(C)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 66.24%
    Fatty 57.49%
    Woody 38.61%
    Oily 38.6%
    Floral 38.02%
    Citrus 34.15%
    Milky 31.21%
    Fresh 30.31%
    Creamy 27.75%
    Sweet 26.54%

     

    Flavor
    Waxy 37.68%
    Mild 29.72%
    Oily 29.17%
    Fatty 27.19%
    Bland 26.57%
    Delicate 23.35%
    Fat 23.19%
    Slightly waxy 22.91%
    Bay oil 22.28%
    Faint 22.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    8.08 (weak base)

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point

    • 152.63 ˚C est.

  • Synonyms

    • 2,6,10-trimethyldodecanoic acid
    • Mangfarnasoic acid
    • 12-farnesanoic acid
    • SCHEMBL3302699
    • CHEBI:191655
    • QSRPPMDQXUXZAD-UHFFFAOYSA-N
    • DTXSID401296428
    • Dodecanoic acid, 2,6,10-trimethyl-
    • 168254-98-6
    • 168254-98-6

  • Applications

    2,6,10-Trimethyldodecanoic acid is primarily used as a chemical intermediate and building block for branched aliphatic esters. In industrial manufacturing, it serves as a precursor for specialty lubricants and plasticizers for polymers, contributing to improved flexibility and low-temperature performance. It is also evaluated for use in surfactants and emulsifiers derived from fatty acids, enabling formulation of detergents and cleaning products. In cosmetics and personal care, its esters can function as emollients or conditioning agents. In coatings and inks, it can act as a processing aid or plasticizer for polymer binders. Additionally, due to its branched structure, it may be used as a component or potential fixative in perfumery formulations, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2849.65
    methanol 1959.6
    isopropanol 2752.5
    water 0.04
    ethyl acetate 2385.8
    n-propanol 2248.61
    acetone 1851.74
    n-butanol 2021.68
    acetonitrile 691.94
    DMF 1239.43
    toluene 500.43
    isobutanol 1662.2
    1,4-dioxane 2715.7
    methyl acetate 1124.54
    THF 4305.54
    2-butanone 2044.46
    n-pentanol 1678.1
    sec-butanol 2138.45
    n-hexane 646.38
    ethylene glycol 56.52
    NMP 866.72
    cyclohexane 466.99
    DMSO 1292.79
    n-butyl acetate 2189.83
    n-octanol 530.68
    chloroform 1337.22
    n-propyl acetate 1873.63
    acetic acid 512.49
    dichloromethane 1205.86
    cyclohexanone 2228.77
    propylene glycol 242.15
    isopropyl acetate 1963.17
    DMAc 1070.1
    2-ethoxyethanol 1838.16
    isopentanol 2039.73
    n-heptane 160.26
    ethyl formate 654.89
    1,2-dichloroethane 1259.64
    n-hexanol 1711.53
    2-methoxyethanol 2100.88
    isobutyl acetate 1151.43
    tetrachloromethane 349.39
    n-pentyl acetate 1108.74
    transcutol 4551.47
    n-heptanol 687.81
    ethylbenzene 360.86
    MIBK 1444.9
    2-propoxyethanol 2078.0
    tert-butanol 3478.51
    MTBE 4578.26
    2-butoxyethanol 1191.34
    propionic acid 621.61
    o-xylene 351.97
    formic acid 101.09
    diethyl ether 3519.75
    m-xylene 440.17
    p-xylene 470.46
    chlorobenzene 515.22
    dimethyl carbonate 163.12
    n-octane 62.23
    formamide 213.08
    cyclopentanone 1798.38
    2-pentanone 2165.64
    anisole 747.64
    cyclopentyl methyl ether 2213.29
    gamma-butyrolactone 1482.66
    1-methoxy-2-propanol 2181.76
    pyridine 1119.8
    3-pentanone 1039.36
    furfural 888.31
    n-dodecane 27.97
    diethylene glycol 697.32
    diisopropyl ether 1168.77
    tert-amyl alcohol 2657.03
    acetylacetone 1322.65
    n-hexadecane 33.36
    acetophenone 588.84
    methyl propionate 1020.18
    isopentyl acetate 2075.32
    trichloroethylene 1529.53
    n-nonanol 459.14
    cyclohexanol 1527.6
    benzyl alcohol 532.68
    2-ethylhexanol 1050.53
    isooctanol 648.0
    dipropyl ether 1533.96
    1,2-dichlorobenzene 482.61
    ethyl lactate 380.52
    propylene carbonate 826.04
    n-methylformamide 633.04
    2-pentanol 1790.68
    n-pentane 285.05
    1-propoxy-2-propanol 1884.1
    1-methoxy-2-propyl acetate 1604.03
    2-(2-methoxypropoxy) propanol 733.85
    mesitylene 316.57
    ε-caprolactone 1771.18
    p-cymene 242.39
    epichlorohydrin 2015.81
    1,1,1-trichloroethane 1125.13
    2-aminoethanol 399.07
    morpholine-4-carbaldehyde 1270.07
    sulfolane 1298.28
    2,2,4-trimethylpentane 169.6
    2-methyltetrahydrofuran 3863.0
    n-hexyl acetate 1207.11
    isooctane 158.07
    2-(2-butoxyethoxy)ethanol 1286.33
    sec-butyl acetate 1506.51
    tert-butyl acetate 2106.54
    decalin 192.53
    glycerin 233.56
    diglyme 2131.66
    acrylic acid 243.32
    isopropyl myristate 359.37
    n-butyric acid 1726.17
    acetyl acetate 635.23
    di(2-ethylhexyl) phthalate 260.97
    ethyl propionate 1257.72
    nitromethane 820.71
    1,2-diethoxyethane 2472.98
    benzonitrile 534.19
    trioctyl phosphate 218.98
    1-bromopropane 1142.87
    gamma-valerolactone 2366.94
    n-decanol 311.67
    triethyl phosphate 312.18
    4-methyl-2-pentanol 1058.8
    propionitrile 815.41
    vinylene carbonate 515.32
    1,1,2-trichlorotrifluoroethane 835.4
    DMS 443.28
    cumene 289.54
    2-octanol 509.59
    2-hexanone 1910.7
    octyl acetate 428.46
    limonene 470.28
    1,2-dimethoxyethane 2958.59
    ethyl orthosilicate 391.88
    tributyl phosphate 276.9
    diacetone alcohol 1572.62
    N,N-dimethylaniline 484.11
    acrylonitrile 518.96
    aniline 636.09
    1,3-propanediol 902.78
    bromobenzene 531.1
    dibromomethane 1005.19
    1,1,2,2-tetrachloroethane 1456.01
    2-methyl-cyclohexyl acetate 797.8
    tetrabutyl urea 319.25
    diisobutyl methanol 559.52
    2-phenylethanol 667.66
    styrene 420.16
    dioctyl adipate 446.54
    dimethyl sulfate 232.89
    ethyl butyrate 1311.65
    methyl lactate 298.29
    butyl lactate 666.42
    diethyl carbonate 501.95
    propanediol butyl ether 817.01
    triethyl orthoformate 789.79
    p-tert-butyltoluene 256.87
    methyl 4-tert-butylbenzoate 534.92
    morpholine 4099.1
    tert-butylamine 2376.15
    n-dodecanol 214.81
    dimethoxymethane 1350.2
    ethylene carbonate 570.94
    cyrene 505.39
    2-ethoxyethyl acetate 1193.48
    2-ethylhexyl acetate 1493.63
    1,2,4-trichlorobenzene 522.45
    4-methylpyridine 1259.43
    dibutyl ether 1088.09
    2,6-dimethyl-4-heptanol 559.52
    DEF 1764.82
    dimethyl isosorbide 1128.92
    tetrachloroethylene 952.36
    eugenol 496.33
    triacetin 648.89
    span 80 671.27
    1,4-butanediol 347.12
    1,1-dichloroethane 1382.97
    2-methyl-1-pentanol 1529.63
    methyl formate 276.48
    2-methyl-1-butanol 1618.64
    n-decane 68.34
    butyronitrile 1386.42
    3,7-dimethyl-1-octanol 685.63
    1-chlorooctane 346.24
    1-chlorotetradecane 93.57
    n-nonane 72.03
    undecane 40.95
    tert-butylcyclohexane 230.69
    cyclooctane 126.03
    cyclopentanol 1330.02
    tetrahydropyran 4317.86
    tert-amyl methyl ether 2275.08
    2,5,8-trioxanonane 1135.52
    1-hexene 1690.83
    2-isopropoxyethanol 1505.31
    2,2,2-trifluoroethanol 113.76
    methyl butyrate 1675.89

    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