Octadecanoic acid, 3-methyl-

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  • Identifiers

    CAS number
    52304-07-1

    Molecular formula
    C19H38O2

    SMILES
    CCCCCCCCCCCCCCCC(C)CC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 79.27%
    Fatty 76.57%
    Oily 47.91%
    Creamy 30.33%
    Dairy 29.81%
    Milky 26.67%
    Odorless 26.4%
    Meaty 25.06%
    Soapy 23.04%
    Savory 22.28%

     

    Flavor
    Fatty 51.68%
    Waxy 45.97%
    Mild 38.01%
    Fat 34.23%
    Bland 32.52%
    Faint 31.43%
    Oily 30.66%
    Odorless 28.35%
    Coconut 26.81%
    Slightly waxy 26.02%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.6

    pKa est.
    7.05 (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

    • 185.52 ˚C est.

  • Synonyms

    • Octadecanoic acid, 3-methyl-
    • 3-methyloctadecanoic acid
    • 52304-07-1
    • 3-methyl-octadecanoic acid
    • LMFA01020214
    • 3-Methyl-octadecansaure
    • SCHEMBL3627603
    • SCHEMBL11433528
    • DTXSID50966682
    • CHEBI:165364
    • 52304-07-1

  • Applications

    Octadecanoic acid, 3-methyl- (CAS 52304-07-1) is a branched long-chain fatty acid that serves as a versatile feedstock for multiple industries. In cosmetics and personal care, it is used to prepare esters and wax-like derivatives that function as emollients and thickening agents. In industrial manufacturing, it provides a basis for the synthesis of lubricant esters and additive packages with improved performance. It also serves as a starting material for surfactants and emulsifiers used in coatings, inks, and cleaning formulations. In agriculture, it can be incorporated in adjuvants and formulation aids to improve spreading and compatibility of crop protection products or fertilizers. In polymers and plastics, it may be used to make specialty plasticizers or ester-based additives, depending on formulation requirements and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 144.48
    methanol 108.88
    isopropanol 201.98
    water 0.02
    ethyl acetate 287.14
    n-propanol 167.36
    acetone 215.09
    n-butanol 190.15
    acetonitrile 58.91
    DMF 403.2
    toluene 103.27
    isobutanol 176.47
    1,4-dioxane 298.55
    methyl acetate 161.84
    THF 1189.39
    2-butanone 297.32
    n-pentanol 145.68
    sec-butanol 195.94
    n-hexane 67.38
    ethylene glycol 6.33
    NMP 799.04
    cyclohexane 188.0
    DMSO 541.17
    n-butyl acetate 454.81
    n-octanol 133.26
    chloroform 538.71
    n-propyl acetate 395.73
    acetic acid 96.3
    dichloromethane 521.07
    cyclohexanone 884.55
    propylene glycol 33.96
    isopropyl acetate 338.18
    DMAc 559.83
    2-ethoxyethanol 225.9
    isopentanol 255.79
    n-heptane 56.9
    ethyl formate 129.51
    1,2-dichloroethane 468.19
    n-hexanol 163.32
    2-methoxyethanol 271.19
    isobutyl acetate 318.76
    tetrachloromethane 160.91
    n-pentyl acetate 528.01
    transcutol 939.44
    n-heptanol 138.14
    ethylbenzene 94.65
    MIBK 393.47
    2-propoxyethanol 302.68
    tert-butanol 342.33
    MTBE 400.69
    2-butoxyethanol 317.02
    propionic acid 127.31
    o-xylene 106.22
    formic acid 17.35
    diethyl ether 253.58
    m-xylene 106.09
    p-xylene 138.79
    chlorobenzene 189.93
    dimethyl carbonate 59.48
    n-octane 25.32
    formamide 35.44
    cyclopentanone 874.79
    2-pentanone 370.51
    anisole 194.17
    cyclopentyl methyl ether 590.03
    gamma-butyrolactone 710.33
    1-methoxy-2-propanol 355.66
    pyridine 290.35
    3-pentanone 249.28
    furfural 430.58
    n-dodecane 13.05
    diethylene glycol 102.67
    diisopropyl ether 150.7
    tert-amyl alcohol 312.95
    acetylacetone 383.47
    n-hexadecane 16.14
    acetophenone 249.58
    methyl propionate 207.92
    isopentyl acetate 483.29
    trichloroethylene 675.9
    n-nonanol 132.39
    cyclohexanol 335.21
    benzyl alcohol 130.79
    2-ethylhexanol 172.48
    isooctanol 159.05
    dipropyl ether 344.93
    1,2-dichlorobenzene 238.76
    ethyl lactate 134.5
    propylene carbonate 407.91
    n-methylformamide 118.94
    2-pentanol 187.79
    n-pentane 40.43
    1-propoxy-2-propanol 351.01
    1-methoxy-2-propyl acetate 391.78
    2-(2-methoxypropoxy) propanol 248.82
    mesitylene 97.38
    ε-caprolactone 697.29
    p-cymene 93.97
    epichlorohydrin 721.99
    1,1,1-trichloroethane 504.07
    2-aminoethanol 40.4
    morpholine-4-carbaldehyde 528.39
    sulfolane 1300.38
    2,2,4-trimethylpentane 40.93
    2-methyltetrahydrofuran 788.29
    n-hexyl acetate 482.46
    isooctane 29.36
    2-(2-butoxyethoxy)ethanol 355.45
    sec-butyl acetate 345.55
    tert-butyl acetate 518.03
    decalin 67.44
    glycerin 48.02
    diglyme 704.39
    acrylic acid 68.06
    isopropyl myristate 174.07
    n-butyric acid 355.22
    acetyl acetate 153.44
    di(2-ethylhexyl) phthalate 125.45
    ethyl propionate 303.92
    nitromethane 198.21
    1,2-diethoxyethane 445.28
    benzonitrile 154.92
    trioctyl phosphate 105.72
    1-bromopropane 312.66
    gamma-valerolactone 989.03
    n-decanol 88.02
    triethyl phosphate 178.73
    4-methyl-2-pentanol 152.28
    propionitrile 98.22
    vinylene carbonate 253.97
    1,1,2-trichlorotrifluoroethane 428.12
    DMS 191.13
    cumene 84.1
    2-octanol 133.11
    2-hexanone 370.47
    octyl acetate 201.81
    limonene 191.99
    1,2-dimethoxyethane 539.05
    ethyl orthosilicate 184.76
    tributyl phosphate 138.68
    diacetone alcohol 466.56
    N,N-dimethylaniline 161.25
    acrylonitrile 86.18
    aniline 123.38
    1,3-propanediol 107.33
    bromobenzene 215.65
    dibromomethane 380.24
    1,1,2,2-tetrachloroethane 763.66
    2-methyl-cyclohexyl acetate 356.1
    tetrabutyl urea 210.06
    diisobutyl methanol 135.6
    2-phenylethanol 148.6
    styrene 102.47
    dioctyl adipate 256.16
    dimethyl sulfate 167.25
    ethyl butyrate 393.9
    methyl lactate 105.47
    butyl lactate 307.63
    diethyl carbonate 181.49
    propanediol butyl ether 240.79
    triethyl orthoformate 316.27
    p-tert-butyltoluene 96.8
    methyl 4-tert-butylbenzoate 319.57
    morpholine 544.09
    tert-butylamine 251.41
    n-dodecanol 62.11
    dimethoxymethane 253.4
    ethylene carbonate 252.09
    cyrene 260.3
    2-ethoxyethyl acetate 425.38
    2-ethylhexyl acetate 397.91
    1,2,4-trichlorobenzene 279.98
    4-methylpyridine 316.49
    dibutyl ether 331.11
    2,6-dimethyl-4-heptanol 135.6
    DEF 442.8
    dimethyl isosorbide 573.92
    tetrachloroethylene 460.36
    eugenol 232.44
    triacetin 396.29
    span 80 267.5
    1,4-butanediol 40.22
    1,1-dichloroethane 395.2
    2-methyl-1-pentanol 174.75
    methyl formate 69.55
    2-methyl-1-butanol 201.03
    n-decane 32.05
    butyronitrile 166.83
    3,7-dimethyl-1-octanol 162.46
    1-chlorooctane 155.18
    1-chlorotetradecane 45.95
    n-nonane 31.87
    undecane 19.07
    tert-butylcyclohexane 57.17
    cyclooctane 46.86
    cyclopentanol 340.25
    tetrahydropyran 662.34
    tert-amyl methyl ether 337.08
    2,5,8-trioxanonane 410.77
    1-hexene 159.39
    2-isopropoxyethanol 229.24
    2,2,2-trifluoroethanol 43.68
    methyl butyrate 439.95

    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