9-Methyl-hexadecanoic acid

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  • Identifiers

    CAS number
    17001-27-3

    Molecular formula
    C17H34O2

    SMILES
    CCCCCCCC(C)CCCCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 80.28%
    Fatty 77.48%
    Oily 44.83%
    Creamy 32.51%
    Dairy 31.51%
    Milky 29.22%
    Soapy 25.97%
    Odorless 25.68%
    Meaty 25.59%
    Citrus 25.11%

     

    Flavor
    Fatty 57.79%
    Waxy 49.75%
    Mild 37.56%
    Fat 37.29%
    Oily 31.96%
    Faint 31.72%
    Coconut 31.55%
    Bland 30.97%
    Odorless 28.89%
    Slightly waxy 26.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    7.28 (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

    • 173.52 ˚C est.

  • Synonyms

    • 9-methylhexadecanoic acid
    • 9-methyl-hexadecanoic acid
    • Hexadecanoic acid, 9-methyl-
    • 17001-27-3
    • LMFA01020202
    • 9-Methyl-hexadecansaure
    • SCHEMBL5421589
    • DTXSID40415553
    • CHEBI:179974
    • VVJMIVOFWQEQCH-UHFFFAOYSA-N
    • 17001-27-3

  • Applications

    9-Methyl-hexadecanoic acid (CAS 17001-27-3) is a long-chain branched fatty acid used as a versatile chemical feedstock in several industries. It is commonly used as an intermediate to synthesize esters for lubricants, plasticizers, and surfactants; it can be saponified or esterified to form soaps and cleansing agents for household and industrial cleaners; it serves as a raw material for alkyd resins used in coatings and inks; it provides building blocks for cosmetic esters and emollients in personal care formulations; and it may be used as a fatty acid component in specialty lubricants and polymer additives, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 983.21
    methanol 596.21
    isopropanol 1077.69
    water 0.01
    ethyl acetate 802.42
    n-propanol 821.57
    acetone 870.48
    n-butanol 781.95
    acetonitrile 189.3
    DMF 924.67
    toluene 188.65
    isobutanol 681.11
    1,4-dioxane 805.66
    methyl acetate 384.51
    THF 2602.72
    2-butanone 908.21
    n-pentanol 615.79
    sec-butanol 761.45
    n-hexane 197.95
    ethylene glycol 20.31
    NMP 859.2
    cyclohexane 240.78
    DMSO 1185.0
    n-butyl acetate 1095.2
    n-octanol 265.65
    chloroform 687.63
    n-propyl acetate 965.64
    acetic acid 216.19
    dichloromethane 726.38
    cyclohexanone 1519.84
    propylene glycol 109.52
    isopropyl acetate 905.07
    DMAc 866.2
    2-ethoxyethanol 780.44
    isopentanol 866.01
    n-heptane 97.41
    ethyl formate 289.89
    1,2-dichloroethane 759.24
    n-hexanol 582.15
    2-methoxyethanol 965.76
    isobutyl acetate 690.45
    tetrachloromethane 175.86
    n-pentyl acetate 828.36
    transcutol 2609.8
    n-heptanol 319.11
    ethylbenzene 165.22
    MIBK 913.53
    2-propoxyethanol 931.41
    tert-butanol 1334.6
    MTBE 1550.91
    2-butoxyethanol 692.02
    propionic acid 297.02
    o-xylene 161.46
    formic acid 34.82
    diethyl ether 1069.06
    m-xylene 190.44
    p-xylene 215.6
    chlorobenzene 268.48
    dimethyl carbonate 88.13
    n-octane 35.37
    formamide 77.34
    cyclopentanone 1368.12
    2-pentanone 1113.26
    anisole 365.95
    cyclopentyl methyl ether 1213.18
    gamma-butyrolactone 1020.7
    1-methoxy-2-propanol 1152.59
    pyridine 528.19
    3-pentanone 523.99
    furfural 605.19
    n-dodecane 18.4
    diethylene glycol 313.52
    diisopropyl ether 435.57
    tert-amyl alcohol 1018.94
    acetylacetone 822.71
    n-hexadecane 22.56
    acetophenone 381.66
    methyl propionate 453.44
    isopentyl acetate 1108.32
    trichloroethylene 897.42
    n-nonanol 247.87
    cyclohexanol 779.92
    benzyl alcohol 267.61
    2-ethylhexanol 459.21
    isooctanol 342.17
    dipropyl ether 859.62
    1,2-dichlorobenzene 292.91
    ethyl lactate 248.86
    propylene carbonate 550.45
    n-methylformamide 294.6
    2-pentanol 658.44
    n-pentane 99.73
    1-propoxy-2-propanol 980.01
    1-methoxy-2-propyl acetate 876.49
    2-(2-methoxypropoxy) propanol 459.98
    mesitylene 152.17
    ε-caprolactone 1138.97
    p-cymene 138.14
    epichlorohydrin 1270.48
    1,1,1-trichloroethane 645.57
    2-aminoethanol 158.77
    morpholine-4-carbaldehyde 837.93
    sulfolane 1462.82
    2,2,4-trimethylpentane 68.32
    2-methyltetrahydrofuran 1748.72
    n-hexyl acetate 809.48
    isooctane 60.94
    2-(2-butoxyethoxy)ethanol 768.4
    sec-butyl acetate 800.24
    tert-butyl acetate 1152.55
    decalin 97.47
    glycerin 119.71
    diglyme 1406.72
    acrylic acid 116.72
    isopropyl myristate 267.95
    n-butyric acid 896.98
    acetyl acetate 301.31
    di(2-ethylhexyl) phthalate 180.49
    ethyl propionate 651.71
    nitromethane 411.56
    1,2-diethoxyethane 1176.37
    benzonitrile 275.97
    trioctyl phosphate 160.26
    1-bromopropane 646.51
    gamma-valerolactone 1730.5
    n-decanol 168.97
    triethyl phosphate 240.9
    4-methyl-2-pentanol 468.19
    propionitrile 273.2
    vinylene carbonate 325.42
    1,1,2-trichlorotrifluoroethane 646.64
    DMS 282.58
    cumene 141.7
    2-octanol 260.35
    2-hexanone 999.4
    octyl acetate 307.0
    limonene 285.57
    1,2-dimethoxyethane 1486.05
    ethyl orthosilicate 275.42
    tributyl phosphate 207.18
    diacetone alcohol 1048.89
    N,N-dimethylaniline 269.55
    acrylonitrile 205.54
    aniline 249.88
    1,3-propanediol 390.68
    bromobenzene 291.97
    dibromomethane 560.14
    1,1,2,2-tetrachloroethane 955.47
    2-methyl-cyclohexyl acetate 554.35
    tetrabutyl urea 279.4
    diisobutyl methanol 292.59
    2-phenylethanol 319.17
    styrene 187.41
    dioctyl adipate 363.81
    dimethyl sulfate 197.91
    ethyl butyrate 788.09
    methyl lactate 189.16
    butyl lactate 486.94
    diethyl carbonate 311.0
    propanediol butyl ether 482.77
    triethyl orthoformate 532.55
    p-tert-butyltoluene 144.12
    methyl 4-tert-butylbenzoate 418.58
    morpholine 1568.66
    tert-butylamine 862.82
    n-dodecanol 118.66
    dimethoxymethane 683.36
    ethylene carbonate 353.29
    cyrene 371.99
    2-ethoxyethyl acetate 752.86
    2-ethylhexyl acetate 821.44
    1,2,4-trichlorobenzene 327.57
    4-methylpyridine 593.98
    dibutyl ether 700.76
    2,6-dimethyl-4-heptanol 292.59
    DEF 957.63
    dimethyl isosorbide 847.47
    tetrachloroethylene 573.6
    eugenol 342.28
    triacetin 543.93
    span 80 454.05
    1,4-butanediol 134.68
    1,1-dichloroethane 692.71
    2-methyl-1-pentanol 585.62
    methyl formate 128.67
    2-methyl-1-butanol 676.28
    n-decane 46.79
    butyronitrile 524.98
    3,7-dimethyl-1-octanol 352.09
    1-chlorooctane 236.49
    1-chlorotetradecane 66.13
    n-nonane 47.33
    undecane 27.21
    tert-butylcyclohexane 99.09
    cyclooctane 59.87
    cyclopentanol 751.43
    tetrahydropyran 1793.39
    tert-amyl methyl ether 894.74
    2,5,8-trioxanonane 756.42
    1-hexene 586.04
    2-isopropoxyethanol 703.37
    2,2,2-trifluoroethanol 58.28
    methyl butyrate 936.71

    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