3-Methyl-decanoic acid

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  • Identifiers

    CAS number
    60308-82-9

    Molecular formula
    C11H22O2

    SMILES
    CCCCCCCC(C)CC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 84.31%
    Waxy 73.61%
    Dairy 57.03%
    Cheesy 52.71%
    Oily 50.41%
    Green 47.86%
    Milky 44.91%
    Creamy 44.49%
    Citrus 43.18%
    Fruity 39.91%

     

    Flavor
    Fatty 59.98%
    Waxy 48.61%
    Oily 40.72%
    Fat 36.35%
    Green 35.78%
    Cheese 33.63%
    Mild 30.02%
    Creamy 28.61%
    Coconut 28.38%
    Soapy 27.69%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.76 (neutral)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    271°C

    Flash point

    • 130.91 ˚C est.

  • Synonyms

    • 3-methyl-decanoic acid
    • RefChem:1068275
    • 3-Methyldecanoic acid
    • 60308-82-9
    • Decanoic acid, 3-methyl-
    • SCHEMBL1872991
    • DTXSID30975717
    • CHEBI:179399
    • LMFA01020182
    • MFCD00049201
    • A1-26096
    • 60308-82-9

  • Applications

    3-Methyl-decanoic acid (CAS 60308-82-9) is a branched long-chain fatty acid used as a versatile intermediate for the synthesis of branched fatty acid esters employed in fragrance and cosmetics. It serves as a precursor for specialty lubricants and plasticizers in the plastics and lubricants industries. Its branched structure makes it suitable for producing surfactants and detergent ingredients used in coatings, inks, cleaning formulations, and personal care products. It can act as an intermediate in polymer and resin modification for coatings and adhesives. Practical use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7966.39
    methanol 8765.82
    isopropanol 8071.04
    water 0.21
    ethyl acetate 2636.23
    n-propanol 5592.76
    acetone 7800.94
    n-butanol 4350.96
    acetonitrile 1928.79
    DMF 4644.2
    toluene 437.1
    isobutanol 4106.37
    1,4-dioxane 3172.04
    methyl acetate 1575.27
    THF 7795.05
    2-butanone 3325.05
    n-pentanol 3084.28
    sec-butanol 4093.44
    n-hexane 1001.11
    ethylene glycol 637.63
    NMP 2404.47
    cyclohexane 443.09
    DMSO 6169.44
    n-butyl acetate 2343.45
    n-octanol 775.37
    chloroform 1756.18
    n-propyl acetate 1904.59
    acetic acid 2226.6
    dichloromethane 1488.43
    cyclohexanone 4083.57
    propylene glycol 1477.25
    isopropyl acetate 2091.15
    DMAc 1717.13
    2-ethoxyethanol 2351.6
    isopentanol 3618.78
    n-heptane 210.03
    ethyl formate 1159.95
    1,2-dichloroethane 1719.91
    n-hexanol 3027.46
    2-methoxyethanol 4609.57
    isobutyl acetate 1165.98
    tetrachloromethane 319.99
    n-pentyl acetate 1025.59
    transcutol 5006.06
    n-heptanol 936.57
    ethylbenzene 309.59
    MIBK 2057.77
    2-propoxyethanol 3442.25
    tert-butanol 7231.42
    MTBE 4099.68
    2-butoxyethanol 1442.92
    propionic acid 1853.89
    o-xylene 314.06
    formic acid 544.78
    diethyl ether 3248.52
    m-xylene 458.4
    p-xylene 403.79
    chlorobenzene 588.41
    dimethyl carbonate 325.12
    n-octane 69.07
    formamide 811.81
    cyclopentanone 4380.5
    2-pentanone 3798.27
    anisole 710.24
    cyclopentyl methyl ether 3551.69
    gamma-butyrolactone 3537.92
    1-methoxy-2-propanol 4175.05
    pyridine 1467.01
    3-pentanone 1544.52
    furfural 1640.7
    n-dodecane 37.23
    diethylene glycol 1691.02
    diisopropyl ether 1074.79
    tert-amyl alcohol 3865.85
    acetylacetone 2371.26
    n-hexadecane 43.64
    acetophenone 590.54
    methyl propionate 1554.16
    isopentyl acetate 1995.25
    trichloroethylene 2165.68
    n-nonanol 623.81
    cyclohexanol 2864.78
    benzyl alcohol 678.35
    2-ethylhexanol 1332.98
    isooctanol 757.95
    dipropyl ether 1689.1
    1,2-dichlorobenzene 528.11
    ethyl lactate 520.56
    propylene carbonate 1396.2
    n-methylformamide 2408.17
    2-pentanol 3165.54
    n-pentane 401.62
    1-propoxy-2-propanol 2676.83
    1-methoxy-2-propyl acetate 1698.06
    2-(2-methoxypropoxy) propanol 857.6
    mesitylene 327.22
    ε-caprolactone 2529.91
    p-cymene 208.99
    epichlorohydrin 3459.55
    1,1,1-trichloroethane 1351.25
    2-aminoethanol 2182.41
    morpholine-4-carbaldehyde 2180.29
    sulfolane 3822.61
    2,2,4-trimethylpentane 146.08
    2-methyltetrahydrofuran 5084.14
    n-hexyl acetate 1388.58
    isooctane 159.64
    2-(2-butoxyethoxy)ethanol 1512.1
    sec-butyl acetate 1280.02
    tert-butyl acetate 2192.12
    decalin 185.29
    glycerin 1164.27
    diglyme 2367.04
    acrylic acid 990.07
    isopropyl myristate 402.78
    n-butyric acid 3776.7
    acetyl acetate 839.1
    di(2-ethylhexyl) phthalate 324.98
    ethyl propionate 1250.94
    nitromethane 2682.07
    1,2-diethoxyethane 1950.43
    benzonitrile 779.48
    trioctyl phosphate 296.93
    1-bromopropane 1359.65
    gamma-valerolactone 4146.34
    n-decanol 431.94
    triethyl phosphate 300.14
    4-methyl-2-pentanol 1509.52
    propionitrile 1703.65
    vinylene carbonate 930.75
    1,1,2-trichlorotrifluoroethane 1686.86
    DMS 532.49
    cumene 248.13
    2-octanol 640.02
    2-hexanone 2376.0
    octyl acetate 507.66
    limonene 481.96
    1,2-dimethoxyethane 3472.45
    ethyl orthosilicate 338.95
    tributyl phosphate 363.34
    diacetone alcohol 2454.06
    N,N-dimethylaniline 458.85
    acrylonitrile 1419.52
    aniline 886.99
    1,3-propanediol 2944.69
    bromobenzene 545.05
    dibromomethane 1229.82
    1,1,2,2-tetrachloroethane 2031.93
    2-methyl-cyclohexyl acetate 747.85
    tetrabutyl urea 450.49
    diisobutyl methanol 642.75
    2-phenylethanol 822.96
    styrene 376.31
    dioctyl adipate 518.49
    dimethyl sulfate 525.65
    ethyl butyrate 1178.86
    methyl lactate 691.68
    butyl lactate 781.76
    diethyl carbonate 467.5
    propanediol butyl ether 1294.32
    triethyl orthoformate 663.64
    p-tert-butyltoluene 232.04
    methyl 4-tert-butylbenzoate 587.16
    morpholine 5197.65
    tert-butylamine 4097.69
    n-dodecanol 303.39
    dimethoxymethane 2544.56
    ethylene carbonate 956.55
    cyrene 666.15
    2-ethoxyethyl acetate 1029.2
    2-ethylhexyl acetate 1303.48
    1,2,4-trichlorobenzene 574.61
    4-methylpyridine 1667.25
    dibutyl ether 1148.75
    2,6-dimethyl-4-heptanol 642.75
    DEF 2670.69
    dimethyl isosorbide 1325.25
    tetrachloroethylene 1284.44
    eugenol 584.29
    triacetin 718.28
    span 80 920.39
    1,4-butanediol 1053.29
    1,1-dichloroethane 1983.63
    2-methyl-1-pentanol 2131.98
    methyl formate 1017.92
    2-methyl-1-butanol 2858.63
    n-decane 81.21
    butyronitrile 2614.55
    3,7-dimethyl-1-octanol 804.83
    1-chlorooctane 427.67
    1-chlorotetradecane 118.53
    n-nonane 88.81
    undecane 52.41
    tert-butylcyclohexane 219.11
    cyclooctane 123.36
    cyclopentanol 3423.07
    tetrahydropyran 5226.76
    tert-amyl methyl ether 2088.24
    2,5,8-trioxanonane 1344.97
    1-hexene 2497.43
    2-isopropoxyethanol 1804.77
    2,2,2-trifluoroethanol 403.75
    methyl butyrate 1904.68

    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