5-Methyl-hexadecanoic acid

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  • Identifiers

    CAS number
    7212-46-6

    Molecular formula
    C17H34O2

    SMILES
    CCCCCCCCCCCC(C)CCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 80.24%
    Fatty 77.32%
    Oily 44.56%
    Creamy 31.7%
    Dairy 30.74%
    Milky 28.51%
    Odorless 26.16%
    Meaty 25.14%
    Soapy 24.57%
    Citrus 23.0%

     

    Flavor
    Fatty 57.27%
    Waxy 48.82%
    Mild 37.5%
    Fat 36.85%
    Oily 31.76%
    Faint 31.62%
    Bland 31.07%
    Coconut 30.78%
    Odorless 29.07%
    Slightly waxy 26.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    7.15 (neutral)

    Molecular weight
    270.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    349°C

    Flash point

    • 172.0 ˚C est.

  • Synonyms

    • 5-methylhexadecanoic acid
    • 5-methyl-hexadecanoic acid
    • LMFA01020199
    • 7212-46-6
    • 5-Methyl-hexadecansaure
    • SCHEMBL15271019
    • DTXSID60415550
    • CHEBI:179979
    • 7212-46-6

  • Applications

    Chemical name: 5-Methyl-hexadecanoic acid; CAS number: 7212-46-6. 5-Methyl-hexadecanoic acid is a branched long-chain fatty acid that serves as a chemical intermediate and feedstock in several industrial applications. In industry, it is commonly evaluated for production of branched fatty acid esters used as lubricants and plasticizers for polymers and coatings, and as precursors for surfactants and detergent formulations. It can act as a building block for specialty polymers and polyesters used in resins and adhesives. In cosmetics and personal care, it may be converted to ester derivatives that function as emollients or conditioning agents. In cleaning formulations, it can serve as a surfactant component or formulation aid. It may also find use in agricultural formulations as a surfactant or adjuvant to improve wetting and dispersion. Use is subject to regulatory limits and formulation specifics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 947.8
    methanol 608.26
    isopropanol 1008.31
    water 0.01
    ethyl acetate 859.48
    n-propanol 772.24
    acetone 856.44
    n-butanol 755.07
    acetonitrile 192.99
    DMF 952.45
    toluene 199.75
    isobutanol 648.51
    1,4-dioxane 800.86
    methyl acetate 408.63
    THF 2713.98
    2-butanone 892.34
    n-pentanol 562.04
    sec-butanol 719.67
    n-hexane 180.03
    ethylene glycol 21.04
    NMP 1054.55
    cyclohexane 251.54
    DMSO 1276.01
    n-butyl acetate 1117.81
    n-octanol 247.61
    chloroform 746.84
    n-propyl acetate 976.31
    acetic acid 237.69
    dichloromethane 827.78
    cyclohexanone 1678.85
    propylene glycol 110.0
    isopropyl acetate 943.76
    DMAc 928.6
    2-ethoxyethanol 755.5
    isopentanol 835.8
    n-heptane 94.49
    ethyl formate 304.0
    1,2-dichloroethane 829.86
    n-hexanol 522.68
    2-methoxyethanol 995.2
    isobutyl acetate 691.37
    tetrachloromethane 191.71
    n-pentyl acetate 883.42
    transcutol 2747.76
    n-heptanol 302.79
    ethylbenzene 166.52
    MIBK 915.67
    2-propoxyethanol 885.86
    tert-butanol 1250.03
    MTBE 1449.8
    2-butoxyethanol 683.0
    propionic acid 322.14
    o-xylene 172.71
    formic acid 40.41
    diethyl ether 1043.25
    m-xylene 197.18
    p-xylene 222.38
    chlorobenzene 290.47
    dimethyl carbonate 103.17
    n-octane 34.2
    formamide 91.81
    cyclopentanone 1533.79
    2-pentanone 1122.32
    anisole 370.07
    cyclopentyl methyl ether 1329.49
    gamma-butyrolactone 1211.13
    1-methoxy-2-propanol 1151.96
    pyridine 572.66
    3-pentanone 548.34
    furfural 689.34
    n-dodecane 17.18
    diethylene glycol 314.11
    diisopropyl ether 427.48
    tert-amyl alcohol 979.38
    acetylacetone 904.85
    n-hexadecane 21.3
    acetophenone 409.99
    methyl propionate 499.16
    isopentyl acetate 1162.63
    trichloroethylene 1010.56
    n-nonanol 232.84
    cyclohexanol 804.58
    benzyl alcohol 265.08
    2-ethylhexanol 427.87
    isooctanol 321.92
    dipropyl ether 823.88
    1,2-dichlorobenzene 323.59
    ethyl lactate 262.28
    propylene carbonate 653.8
    n-methylformamide 321.18
    2-pentanol 626.91
    n-pentane 96.87
    1-propoxy-2-propanol 937.82
    1-methoxy-2-propyl acetate 932.21
    2-(2-methoxypropoxy) propanol 466.36
    mesitylene 160.34
    ε-caprolactone 1286.47
    p-cymene 143.9
    epichlorohydrin 1380.57
    1,1,1-trichloroethane 697.41
    2-aminoethanol 161.53
    morpholine-4-carbaldehyde 950.53
    sulfolane 1776.12
    2,2,4-trimethylpentane 69.03
    2-methyltetrahydrofuran 1846.41
    n-hexyl acetate 861.15
    isooctane 57.29
    2-(2-butoxyethoxy)ethanol 771.5
    sec-butyl acetate 824.16
    tert-butyl acetate 1242.01
    decalin 100.54
    glycerin 125.43
    diglyme 1442.04
    acrylic acid 133.18
    isopropyl myristate 270.48
    n-butyric acid 955.55
    acetyl acetate 342.84
    di(2-ethylhexyl) phthalate 188.82
    ethyl propionate 688.02
    nitromethane 483.42
    1,2-diethoxyethane 1176.34
    benzonitrile 285.9
    trioctyl phosphate 167.06
    1-bromopropane 654.23
    gamma-valerolactone 1927.08
    n-decanol 157.8
    triethyl phosphate 264.56
    4-methyl-2-pentanol 441.25
    propionitrile 273.16
    vinylene carbonate 383.26
    1,1,2-trichlorotrifluoroethane 724.02
    DMS 322.38
    cumene 141.14
    2-octanol 245.19
    2-hexanone 964.41
    octyl acetate 312.28
    limonene 301.24
    1,2-dimethoxyethane 1408.18
    ethyl orthosilicate 294.13
    tributyl phosphate 218.35
    diacetone alcohol 1121.07
    N,N-dimethylaniline 273.85
    acrylonitrile 210.94
    aniline 266.95
    1,3-propanediol 396.77
    bromobenzene 321.74
    dibromomethane 608.93
    1,1,2,2-tetrachloroethane 1046.35
    2-methyl-cyclohexyl acetate 590.61
    tetrabutyl urea 295.35
    diisobutyl methanol 286.98
    2-phenylethanol 312.86
    styrene 190.97
    dioctyl adipate 385.93
    dimethyl sulfate 246.75
    ethyl butyrate 830.65
    methyl lactate 208.03
    butyl lactate 513.38
    diethyl carbonate 339.13
    propanediol butyl ether 482.37
    triethyl orthoformate 568.02
    p-tert-butyltoluene 149.84
    methyl 4-tert-butylbenzoate 444.82
    morpholine 1587.45
    tert-butylamine 806.13
    n-dodecanol 110.78
    dimethoxymethane 727.65
    ethylene carbonate 416.7
    cyrene 398.91
    2-ethoxyethyl acetate 820.3
    2-ethylhexyl acetate 871.33
    1,2,4-trichlorobenzene 367.06
    4-methylpyridine 633.45
    dibutyl ether 686.23
    2,6-dimethyl-4-heptanol 286.98
    DEF 1030.96
    dimethyl isosorbide 915.06
    tetrachloroethylene 633.97
    eugenol 353.08
    triacetin 608.66
    span 80 459.15
    1,4-butanediol 130.16
    1,1-dichloroethane 722.53
    2-methyl-1-pentanol 549.54
    methyl formate 139.51
    2-methyl-1-butanol 660.81
    n-decane 43.95
    butyronitrile 507.49
    3,7-dimethyl-1-octanol 329.4
    1-chlorooctane 233.57
    1-chlorotetradecane 64.93
    n-nonane 44.48
    undecane 25.53
    tert-butylcyclohexane 97.26
    cyclooctane 61.7
    cyclopentanol 789.57
    tetrahydropyran 1831.35
    tert-amyl methyl ether 877.35
    2,5,8-trioxanonane 785.41
    1-hexene 526.28
    2-isopropoxyethanol 680.47
    2,2,2-trifluoroethanol 70.47
    methyl butyrate 982.11

    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