16-Methyloctadecanoic acid

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  • Identifiers

    CAS number
    17001-28-4

    Molecular formula
    C19H38O2

    SMILES
    CCC(C)CCCCCCCCCCCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 80.71%
    Fatty 72.05%
    Oily 39.78%
    Odorless 30.21%
    Creamy 25.22%
    Meaty 22.33%
    Dairy 21.93%
    Milky 21.55%
    Savory 21.21%
    Soapy 19.41%

     

    Flavor
    Fatty 54.55%
    Waxy 50.29%
    Mild 38.33%
    Fat 35.46%
    Faint 32.55%
    Bland 32.52%
    Oily 30.46%
    Odorless 29.77%
    Coconut 28.87%
    Slightly waxy 26.46%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.5

    pKa est.
    7.39 (neutral)

    Molecular weight
    298.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    378°C

    Flash point

    • 187.98 ˚C est.

  • Synonyms

    • 16-methyloctadecanoic acid
    • Methyl stearic acid
    • Anteisononadecanoic acid
    • Lunac MS-A
    • 16-methyl-octadecanoic acid
    • Octadecanoic acid, 16-methyl-
    • UNII-Y74U21VL6S
    • (+)-16-methyl stearic acid
    • Y74U21VL6S
    • 16-methylstearic acid
    • CHEBI:84875
    • DTXSID40937725
    • 16-Methylstearate
    • Anteisononadecanoate
    • RefChem:79039
    • XI-16-methyloctadecanoate
    • DTXCID701366278
    • METHYL STEARIC ACID [INCI]
    • (+-)-16-METHYLOCTADECANOIC ACID
    • 16-METHYLOCTADECANOIC ACID, (+-)-
    • 17001-28-4
    • (+/-)-16-Methyloctadecanoic acid
    • 16-Methyloctadecanoic acid, (+/-)-
    • 16-METHYLOCTADECANOICACID
    • SCHEMBL346960
    • xi-16-Methyloctadecanoic acid
    • orb1985629
    • LMFA01020016
    • AKOS040753031
    • PD165919
    • HY-165871
    • Q27158142
    • 17001-28-4

  • Applications

    16-Methyloctadecanoic acid (CAS 17001-28-4) is typically used as an oleochemical intermediate and feedstock for the synthesis of long-chain esters and lubricants; it also serves as a precursor for surfactants and detergent components in industrial manufacturing, and can function as an emollient or conditioning fatty acid in cosmetics and personal care products; in polymers and coatings it acts as a fatty acid modifier and plasticizer, and may be used as an additive in adhesives to adjust flexibility and performance, all subject to applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 65.43
    methanol 43.11
    isopropanol 89.75
    water 0.01
    ethyl acetate 157.1
    n-propanol 73.21
    acetone 84.68
    n-butanol 90.76
    acetonitrile 23.27
    DMF 161.73
    toluene 51.22
    isobutanol 76.77
    1,4-dioxane 164.83
    methyl acetate 80.66
    THF 650.89
    2-butanone 144.79
    n-pentanol 78.32
    sec-butanol 93.01
    n-hexane 29.2
    ethylene glycol 2.09
    NMP 375.03
    cyclohexane 74.62
    DMSO 245.3
    n-butyl acetate 280.35
    n-octanol 74.88
    chloroform 280.29
    n-propyl acetate 251.16
    acetic acid 37.27
    dichloromethane 268.93
    cyclohexanone 431.76
    propylene glycol 12.67
    isopropyl acetate 202.66
    DMAc 313.69
    2-ethoxyethanol 142.49
    isopentanol 131.87
    n-heptane 26.61
    ethyl formate 59.6
    1,2-dichloroethane 237.22
    n-hexanol 91.09
    2-methoxyethanol 138.35
    isobutyl acetate 195.35
    tetrachloromethane 80.2
    n-pentyl acetate 318.99
    transcutol 766.05
    n-heptanol 77.46
    ethylbenzene 54.87
    MIBK 228.67
    2-propoxyethanol 188.31
    tert-butanol 175.51
    MTBE 252.31
    2-butoxyethanol 198.85
    propionic acid 51.56
    o-xylene 57.18
    formic acid 6.21
    diethyl ether 133.09
    m-xylene 55.75
    p-xylene 76.59
    chlorobenzene 92.91
    dimethyl carbonate 26.26
    n-octane 12.53
    formamide 13.83
    cyclopentanone 424.23
    2-pentanone 187.67
    anisole 126.17
    cyclopentyl methyl ether 320.87
    gamma-butyrolactone 343.23
    1-methoxy-2-propanol 194.74
    pyridine 145.39
    3-pentanone 124.3
    furfural 223.01
    n-dodecane 6.83
    diethylene glycol 55.63
    diisopropyl ether 89.45
    tert-amyl alcohol 168.86
    acetylacetone 210.31
    n-hexadecane 8.46
    acetophenone 159.47
    methyl propionate 101.7
    isopentyl acetate 321.16
    trichloroethylene 356.99
    n-nonanol 77.55
    cyclohexanol 151.09
    benzyl alcohol 73.87
    2-ethylhexanol 99.14
    isooctanol 95.02
    dipropyl ether 202.68
    1,2-dichlorobenzene 127.0
    ethyl lactate 79.16
    propylene carbonate 203.92
    n-methylformamide 43.59
    2-pentanol 87.51
    n-pentane 16.04
    1-propoxy-2-propanol 238.94
    1-methoxy-2-propyl acetate 272.92
    2-(2-methoxypropoxy) propanol 183.7
    mesitylene 52.49
    ε-caprolactone 379.61
    p-cymene 57.53
    epichlorohydrin 408.3
    1,1,1-trichloroethane 262.44
    2-aminoethanol 15.72
    morpholine-4-carbaldehyde 281.68
    sulfolane 668.11
    2,2,4-trimethylpentane 21.74
    2-methyltetrahydrofuran 440.47
    n-hexyl acetate 289.97
    isooctane 16.18
    2-(2-butoxyethoxy)ethanol 255.17
    sec-butyl acetate 231.0
    tert-butyl acetate 335.94
    decalin 35.28
    glycerin 20.05
    diglyme 520.45
    acrylic acid 24.48
    isopropyl myristate 110.0
    n-butyric acid 167.77
    acetyl acetate 83.66
    di(2-ethylhexyl) phthalate 74.44
    ethyl propionate 187.65
    nitromethane 84.02
    1,2-diethoxyethane 342.21
    benzonitrile 81.89
    trioctyl phosphate 60.73
    1-bromopropane 165.91
    gamma-valerolactone 544.22
    n-decanol 50.89
    triethyl phosphate 118.32
    4-methyl-2-pentanol 81.91
    propionitrile 41.64
    vinylene carbonate 117.48
    1,1,2-trichlorotrifluoroethane 233.1
    DMS 111.54
    cumene 50.35
    2-octanol 74.62
    2-hexanone 225.42
    octyl acetate 120.46
    limonene 112.03
    1,2-dimethoxyethane 352.31
    ethyl orthosilicate 127.89
    tributyl phosphate 83.23
    diacetone alcohol 286.47
    N,N-dimethylaniline 105.04
    acrylonitrile 34.46
    aniline 58.62
    1,3-propanediol 47.67
    bromobenzene 110.88
    dibromomethane 193.1
    1,1,2,2-tetrachloroethane 408.95
    2-methyl-cyclohexyl acetate 245.9
    tetrabutyl urea 127.27
    diisobutyl methanol 84.35
    2-phenylethanol 89.78
    styrene 57.34
    dioctyl adipate 167.97
    dimethyl sulfate 80.42
    ethyl butyrate 263.74
    methyl lactate 49.65
    butyl lactate 190.12
    diethyl carbonate 115.36
    propanediol butyl ether 144.12
    triethyl orthoformate 219.24
    p-tert-butyltoluene 60.98
    methyl 4-tert-butylbenzoate 206.73
    morpholine 288.72
    tert-butylamine 124.99
    n-dodecanol 35.22
    dimethoxymethane 123.37
    ethylene carbonate 117.94
    cyrene 174.32
    2-ethoxyethyl acetate 287.69
    2-ethylhexyl acetate 261.73
    1,2,4-trichlorobenzene 154.36
    4-methylpyridine 163.2
    dibutyl ether 212.52
    2,6-dimethyl-4-heptanol 84.35
    DEF 226.49
    dimethyl isosorbide 414.6
    tetrachloroethylene 230.42
    eugenol 154.99
    triacetin 255.68
    span 80 174.99
    1,4-butanediol 18.1
    1,1-dichloroethane 192.97
    2-methyl-1-pentanol 105.14
    methyl formate 25.32
    2-methyl-1-butanol 102.68
    n-decane 17.01
    butyronitrile 75.08
    3,7-dimethyl-1-octanol 103.12
    1-chlorooctane 87.11
    1-chlorotetradecane 24.65
    n-nonane 16.55
    undecane 10.13
    tert-butylcyclohexane 32.17
    cyclooctane 20.15
    cyclopentanol 145.84
    tetrahydropyran 334.47
    tert-amyl methyl ether 205.91
    2,5,8-trioxanonane 298.58
    1-hexene 79.47
    2-isopropoxyethanol 148.1
    2,2,2-trifluoroethanol 16.44
    methyl butyrate 271.15

    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