8-Methylhexadecanoic acid

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  • Identifiers

    CAS number
    17301-65-4

    Molecular formula
    C17H34O2

    SMILES
    CCCCCCCCC(C)CCCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 80.23%
    Fatty 77.43%
    Oily 44.8%
    Creamy 32.42%
    Dairy 31.43%
    Milky 29.19%
    Soapy 25.88%
    Odorless 25.69%
    Meaty 25.61%
    Citrus 25.04%

     

    Flavor
    Fatty 57.75%
    Waxy 49.69%
    Mild 37.55%
    Fat 37.25%
    Oily 31.92%
    Faint 31.75%
    Coconut 31.51%
    Bland 30.99%
    Odorless 28.92%
    Slightly waxy 26.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    7.32 (neutral)

    Molecular weight
    270.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    347°C

    Flash point

    • 173.15 ˚C est.

  • Synonyms

    • 8-methylhexadecanoic acid
    • 8-methyl-hexadecanoic acid
    • LMFA01020201
    • 8-Methyl-hexadecansaure
    • SCHEMBL2181620
    • DTXSID80415552
    • CHEBI:179975
    • LAAIFKSODDOQCB-UHFFFAOYSA-N
    • 17301-65-4
    • 17301-65-4

  • Applications

    8-Methylhexadecanoic acid (CAS 17301-65-4) is typically used as a chemical feedstock and intermediate for the synthesis of fatty acid esters and derivatives that act as lubricants and plasticizers in industrial manufacturing; it also serves as a building block for surfactants and emulsifiers used in cosmetics and household products. The branched fatty acid can be incorporated into polymer and coating formulations as a plasticizer or modifier to improve flexibility, processing, and surface properties. In cosmetics, it may be esterified to form emollient esters used in skin and hair care. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 897.79
    methanol 537.05
    isopropanol 983.69
    water 0.01
    ethyl acetate 711.02
    n-propanol 753.2
    acetone 746.99
    n-butanol 727.21
    acetonitrile 161.5
    DMF 817.84
    toluene 169.81
    isobutanol 626.69
    1,4-dioxane 746.48
    methyl acetate 339.81
    THF 2404.41
    2-butanone 812.0
    n-pentanol 573.8
    sec-butanol 703.09
    n-hexane 171.25
    ethylene glycol 18.22
    NMP 768.21
    cyclohexane 211.31
    DMSO 1050.76
    n-butyl acetate 996.39
    n-octanol 242.79
    chloroform 624.6
    n-propyl acetate 872.88
    acetic acid 189.9
    dichloromethane 651.71
    cyclohexanone 1371.1
    propylene glycol 100.5
    isopropyl acetate 817.95
    DMAc 792.9
    2-ethoxyethanol 742.31
    isopentanol 811.32
    n-heptane 85.46
    ethyl formate 257.93
    1,2-dichloroethane 681.46
    n-hexanol 541.59
    2-methoxyethanol 903.9
    isobutyl acetate 634.02
    tetrachloromethane 156.34
    n-pentyl acetate 752.21
    transcutol 2478.5
    n-heptanol 294.5
    ethylbenzene 148.87
    MIBK 832.36
    2-propoxyethanol 880.74
    tert-butanol 1222.49
    MTBE 1410.08
    2-butoxyethanol 647.78
    propionic acid 262.15
    o-xylene 146.03
    formic acid 30.95
    diethyl ether 968.33
    m-xylene 170.95
    p-xylene 192.85
    chlorobenzene 238.02
    dimethyl carbonate 77.17
    n-octane 30.92
    formamide 67.47
    cyclopentanone 1217.71
    2-pentanone 1001.72
    anisole 336.18
    cyclopentyl methyl ether 1114.11
    gamma-butyrolactone 907.68
    1-methoxy-2-propanol 1085.08
    pyridine 480.97
    3-pentanone 466.71
    furfural 543.2
    n-dodecane 16.04
    diethylene glycol 293.5
    diisopropyl ether 393.81
    tert-amyl alcohol 942.66
    acetylacetone 730.94
    n-hexadecane 19.62
    acetophenone 349.65
    methyl propionate 401.36
    isopentyl acetate 1018.97
    trichloroethylene 804.58
    n-nonanol 227.79
    cyclohexanol 716.39
    benzyl alcohol 247.54
    2-ethylhexanol 424.75
    isooctanol 315.15
    dipropyl ether 788.24
    1,2-dichlorobenzene 260.66
    ethyl lactate 226.8
    propylene carbonate 489.31
    n-methylformamide 257.56
    2-pentanol 605.86
    n-pentane 87.78
    1-propoxy-2-propanol 925.52
    1-methoxy-2-propyl acetate 819.74
    2-(2-methoxypropoxy) propanol 431.92
    mesitylene 136.59
    ε-caprolactone 1036.82
    p-cymene 126.19
    epichlorohydrin 1160.52
    1,1,1-trichloroethane 569.48
    2-aminoethanol 145.66
    morpholine-4-carbaldehyde 771.87
    sulfolane 1307.39
    2,2,4-trimethylpentane 61.25
    2-methyltetrahydrofuran 1617.75
    n-hexyl acetate 737.85
    isooctane 54.47
    2-(2-butoxyethoxy)ethanol 726.41
    sec-butyl acetate 736.89
    tert-butyl acetate 1054.13
    decalin 86.64
    glycerin 109.45
    diglyme 1332.83
    acrylic acid 101.12
    isopropyl myristate 241.8
    n-butyric acid 809.18
    acetyl acetate 266.62
    di(2-ethylhexyl) phthalate 164.85
    ethyl propionate 587.74
    nitromethane 350.64
    1,2-diethoxyethane 1089.58
    benzonitrile 247.28
    trioctyl phosphate 145.11
    1-bromopropane 584.74
    gamma-valerolactone 1564.45
    n-decanol 154.74
    triethyl phosphate 220.56
    4-methyl-2-pentanol 431.59
    propionitrile 240.34
    vinylene carbonate 287.83
    1,1,2-trichlorotrifluoroethane 588.12
    DMS 251.37
    cumene 129.19
    2-octanol 236.23
    2-hexanone 915.08
    octyl acetate 277.8
    limonene 259.79
    1,2-dimethoxyethane 1403.74
    ethyl orthosilicate 253.96
    tributyl phosphate 187.34
    diacetone alcohol 972.33
    N,N-dimethylaniline 248.84
    acrylonitrile 179.62
    aniline 227.17
    1,3-propanediol 362.99
    bromobenzene 257.87
    dibromomethane 501.87
    1,1,2,2-tetrachloroethane 864.88
    2-methyl-cyclohexyl acetate 515.72
    tetrabutyl urea 253.53
    diisobutyl methanol 270.38
    2-phenylethanol 297.14
    styrene 168.12
    dioctyl adipate 331.52
    dimethyl sulfate 173.01
    ethyl butyrate 722.91
    methyl lactate 170.93
    butyl lactate 448.22
    diethyl carbonate 280.33
    propanediol butyl ether 449.54
    triethyl orthoformate 491.68
    p-tert-butyltoluene 131.89
    methyl 4-tert-butylbenzoate 383.64
    morpholine 1470.18
    tert-butylamine 783.76
    n-dodecanol 107.41
    dimethoxymethane 620.1
    ethylene carbonate 313.34
    cyrene 348.11
    2-ethoxyethyl acetate 692.32
    2-ethylhexyl acetate 753.04
    1,2,4-trichlorobenzene 294.79
    4-methylpyridine 539.69
    dibutyl ether 638.54
    2,6-dimethyl-4-heptanol 270.38
    DEF 869.22
    dimethyl isosorbide 793.06
    tetrachloroethylene 515.42
    eugenol 317.42
    triacetin 496.45
    span 80 421.51
    1,4-butanediol 124.23
    1,1-dichloroethane 615.02
    2-methyl-1-pentanol 550.36
    methyl formate 112.2
    2-methyl-1-butanol 631.54
    n-decane 41.03
    butyronitrile 466.8
    3,7-dimethyl-1-octanol 324.1
    1-chlorooctane 212.3
    1-chlorotetradecane 58.07
    n-nonane 41.43
    undecane 23.78
    tert-butylcyclohexane 88.77
    cyclooctane 52.88
    cyclopentanol 681.71
    tetrahydropyran 1653.08
    tert-amyl methyl ether 826.11
    2,5,8-trioxanonane 709.63
    1-hexene 522.44
    2-isopropoxyethanol 666.82
    2,2,2-trifluoroethanol 50.57
    methyl butyrate 851.35

    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