4-Methyloctadecanoic acid

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  • Identifiers

    CAS number
    63060-52-6

    Molecular formula
    C19H38O2

    SMILES
    CCCCCCCCCCCCCCC(C)CCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 80.22%
    Fatty 73.66%
    Oily 42.53%
    Odorless 28.33%
    Creamy 27.03%
    Dairy 25.06%
    Meaty 24.53%
    Milky 23.9%
    Savory 22.41%
    Soapy 20.09%

     

    Flavor
    Fatty 50.76%
    Waxy 47.69%
    Mild 37.67%
    Fat 33.53%
    Bland 33.11%
    Faint 32.86%
    Odorless 29.08%
    Oily 28.66%
    Coconut 26.38%
    Slightly waxy 26.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.5

    pKa est.
    7.43 (neutral)

    Molecular weight
    298.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    377°C

    Flash point

    • 187.08 ˚C est.

  • Synonyms

    • 4-Methyloctadecanoic acid
    • 4-methyl-octadecanoic acid
    • NSC625432
    • Octadecanoic acid, 4-methyl-
    • 63060-52-6
    • 4-Methyl-octadecansaure
    • 4-Methyloctadecanoic acid #
    • SCHEMBL3623541
    • CHEMBL1997500
    • DTXSID00326994
    • CHEBI:179624
    • RFKPYBOOPHCXSY-UHFFFAOYSA-N
    • LMFA01020215
    • NSC-625432
    • NCI60_007839
    • 63060-52-6

  • Applications

    4-Methyloctadecanoic acid (CAS number: 63060-52-6) is a long-chain branched fatty acid that can act as a versatile building block in industrial formulations; in practice, it may be used as an intermediate to synthesize branched fatty esters and wax esters for cosmetics and personal care, as well as for specialty lubricants and lubricant additives in industrial manufacturing; it can be incorporated into wax ester formulations for coatings and personal care bases; it may serve as a precursor for surfactants and detergent formulations; and it can be explored as a feedstock for polymer additives or plasticizers in plastics processing. Usage is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 115.22
    methanol 80.3
    isopropanol 154.72
    water 0.01
    ethyl acetate 219.63
    n-propanol 124.36
    acetone 138.15
    n-butanol 140.57
    acetonitrile 39.4
    DMF 265.45
    toluene 69.91
    isobutanol 122.1
    1,4-dioxane 222.77
    methyl acetate 116.09
    THF 845.91
    2-butanone 214.48
    n-pentanol 116.03
    sec-butanol 143.79
    n-hexane 38.63
    ethylene glycol 4.11
    NMP 456.36
    cyclohexane 96.06
    DMSO 368.35
    n-butyl acetate 356.4
    n-octanol 97.49
    chloroform 364.89
    n-propyl acetate 317.45
    acetic acid 58.04
    dichloromethane 346.4
    cyclohexanone 576.02
    propylene glycol 22.08
    isopropyl acetate 268.94
    DMAc 426.44
    2-ethoxyethanol 192.05
    isopentanol 192.74
    n-heptane 32.34
    ethyl formate 86.52
    1,2-dichloroethane 326.14
    n-hexanol 128.76
    2-methoxyethanol 204.02
    isobutyl acetate 251.42
    tetrachloromethane 101.78
    n-pentyl acetate 388.43
    transcutol 853.04
    n-heptanol 104.29
    ethylbenzene 70.29
    MIBK 298.53
    2-propoxyethanol 252.51
    tert-butanol 263.86
    MTBE 346.32
    2-butoxyethanol 255.58
    propionic acid 80.01
    o-xylene 74.67
    formic acid 9.98
    diethyl ether 188.18
    m-xylene 73.42
    p-xylene 99.88
    chlorobenzene 123.56
    dimethyl carbonate 38.77
    n-octane 15.23
    formamide 21.61
    cyclopentanone 563.58
    2-pentanone 268.3
    anisole 157.33
    cyclopentyl methyl ether 396.29
    gamma-butyrolactone 443.96
    1-methoxy-2-propanol 270.35
    pyridine 197.31
    3-pentanone 171.73
    furfural 294.77
    n-dodecane 8.68
    diethylene glycol 78.84
    diisopropyl ether 112.72
    tert-amyl alcohol 238.13
    acetylacetone 288.66
    n-hexadecane 10.64
    acetophenone 197.86
    methyl propionate 143.04
    isopentyl acetate 399.23
    trichloroethylene 462.94
    n-nonanol 98.19
    cyclohexanol 211.4
    benzyl alcohol 100.26
    2-ethylhexanol 129.77
    isooctanol 123.25
    dipropyl ether 248.47
    1,2-dichlorobenzene 162.59
    ethyl lactate 104.8
    propylene carbonate 262.83
    n-methylformamide 72.37
    2-pentanol 131.61
    n-pentane 21.92
    1-propoxy-2-propanol 292.69
    1-methoxy-2-propyl acetate 326.39
    2-(2-methoxypropoxy) propanol 209.21
    mesitylene 67.17
    ε-caprolactone 486.25
    p-cymene 68.68
    epichlorohydrin 529.31
    1,1,1-trichloroethane 353.12
    2-aminoethanol 27.82
    morpholine-4-carbaldehyde 358.56
    sulfolane 802.42
    2,2,4-trimethylpentane 26.0
    2-methyltetrahydrofuran 558.63
    n-hexyl acetate 347.85
    isooctane 19.72
    2-(2-butoxyethoxy)ethanol 301.5
    sec-butyl acetate 285.21
    tert-butyl acetate 419.3
    decalin 42.49
    glycerin 31.86
    diglyme 604.26
    acrylic acid 38.8
    isopropyl myristate 129.45
    n-butyric acid 242.58
    acetyl acetate 116.44
    di(2-ethylhexyl) phthalate 91.77
    ethyl propionate 240.85
    nitromethane 126.91
    1,2-diethoxyethane 397.03
    benzonitrile 113.87
    trioctyl phosphate 75.38
    1-bromopropane 223.02
    gamma-valerolactone 693.17
    n-decanol 65.89
    triethyl phosphate 133.52
    4-methyl-2-pentanol 115.11
    propionitrile 67.78
    vinylene carbonate 161.82
    1,1,2-trichlorotrifluoroethane 300.35
    DMS 139.65
    cumene 63.68
    2-octanol 96.38
    2-hexanone 292.54
    octyl acetate 146.62
    limonene 131.18
    1,2-dimethoxyethane 452.72
    ethyl orthosilicate 142.11
    tributyl phosphate 99.74
    diacetone alcohol 363.52
    N,N-dimethylaniline 127.53
    acrylonitrile 56.7
    aniline 81.16
    1,3-propanediol 77.48
    bromobenzene 142.35
    dibromomethane 253.12
    1,1,2,2-tetrachloroethane 529.29
    2-methyl-cyclohexyl acetate 270.7
    tetrabutyl urea 150.65
    diisobutyl methanol 102.77
    2-phenylethanol 116.33
    styrene 76.58
    dioctyl adipate 193.55
    dimethyl sulfate 111.42
    ethyl butyrate 306.62
    methyl lactate 70.22
    butyl lactate 231.41
    diethyl carbonate 139.54
    propanediol butyl ether 184.15
    triethyl orthoformate 242.45
    p-tert-butyltoluene 71.11
    methyl 4-tert-butylbenzoate 240.94
    morpholine 386.13
    tert-butylamine 180.14
    n-dodecanol 45.7
    dimethoxymethane 179.51
    ethylene carbonate 160.06
    cyrene 200.97
    2-ethoxyethyl acetate 342.28
    2-ethylhexyl acetate 313.73
    1,2,4-trichlorobenzene 192.76
    4-methylpyridine 221.4
    dibutyl ether 245.84
    2,6-dimethyl-4-heptanol 102.77
    DEF 310.59
    dimethyl isosorbide 449.7
    tetrachloroethylene 301.68
    eugenol 185.17
    triacetin 291.26
    span 80 207.93
    1,4-butanediol 29.68
    1,1-dichloroethane 270.36
    2-methyl-1-pentanol 144.56
    methyl formate 41.56
    2-methyl-1-butanol 148.5
    n-decane 20.97
    butyronitrile 118.29
    3,7-dimethyl-1-octanol 129.08
    1-chlorooctane 105.19
    1-chlorotetradecane 31.15
    n-nonane 20.56
    undecane 12.64
    tert-butylcyclohexane 38.52
    cyclooctane 24.53
    cyclopentanol 207.31
    tetrahydropyran 460.54
    tert-amyl methyl ether 261.02
    2,5,8-trioxanonane 338.15
    1-hexene 107.02
    2-isopropoxyethanol 192.7
    2,2,2-trifluoroethanol 24.45
    methyl butyrate 348.38

    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