Anteisoheptadecanoic acid

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  • Identifiers

    CAS number
    5918-29-6

    Molecular formula
    C17H34O2

    SMILES
    CCC(C)CCCCCCCCCCCCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 79.79%
    Fatty 74.32%
    Oily 39.68%
    Odorless 28.85%
    Creamy 27.9%
    Dairy 25.29%
    Milky 25.02%
    Meaty 24.07%
    Soapy 22.18%
    Savory 22.05%

     

    Flavor
    Fatty 57.98%
    Waxy 51.1%
    Mild 37.88%
    Fat 37.43%
    Oily 32.36%
    Faint 31.66%
    Coconut 31.42%
    Bland 31.05%
    Odorless 29.66%
    Slightly waxy 26.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    7.39 (neutral)

    Molecular weight
    270.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    351°C

    Melting point expt.

    • 39.5 - 40 °C

    Flash point

    • 176.12 ˚C est.

  • Synonyms

    • 14-METHYLHEXADECANOIC ACID
    • 5918-29-6
    • 14-Methylpalmitic acid
    • Anteisoheptadecanoic acid
    • 14-methyl-hexadecanoic acid
    • CHEBI:84874
    • DTXSID60974612
    • RefChem:915945
    • DTXCID701402036
    • 637-371-9
    • (+)-14-methyl palmitic acid
    • Hexadecanoic acid, 14-methyl-
    • SCHEMBL347119
    • orb2944095
    • SCHEMBL8813300
    • LMFA01020011
    • MFCD00214328
    • PD078020
    • HY-121940
    • CS-0083720
    • Q27158141
    • 5918-29-6

  • Applications

    Anteisoheptadecanoic acid (CAS 5918-29-6) is a branched C17 fatty acid that can function as a useful building block in oleochemical synthesis. In industry, it is evaluated for the production of fatty acid esters used as specialty lubricants and surfactants, as a bio-based modifier in polymer and plasticizer formulations, and as an ingredient in cosmetics/personal care as an emollient or formulation component. It is also employed as a research standard or analytical reference for gas chromatography analyses of branched fatty acids, and may be considered for niche coatings or cleaning formulations where lipid-like lipophilicity offers performance advantages.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 278.07
    methanol 161.37
    isopropanol 342.88
    water 0.01
    ethyl acetate 365.27
    n-propanol 267.42
    acetone 266.99
    n-butanol 292.02
    acetonitrile 70.25
    DMF 376.82
    toluene 105.27
    isobutanol 250.19
    1,4-dioxane 389.31
    methyl acetate 183.43
    THF 1336.57
    2-butanone 382.64
    n-pentanol 250.87
    sec-butanol 294.79
    n-hexane 93.12
    ethylene glycol 6.49
    NMP 549.24
    cyclohexane 143.34
    DMSO 534.57
    n-butyl acetate 580.37
    n-octanol 144.27
    chloroform 449.06
    n-propyl acetate 510.3
    acetic acid 84.82
    dichloromethane 454.26
    cyclohexanone 831.15
    propylene glycol 40.16
    isopropyl acetate 432.77
    DMAc 513.36
    2-ethoxyethanol 357.32
    isopentanol 366.3
    n-heptane 59.0
    ethyl formate 133.44
    1,2-dichloroethane 443.14
    n-hexanol 259.32
    2-methoxyethanol 379.86
    isobutyl acetate 380.56
    tetrachloromethane 122.78
    n-pentyl acetate 505.97
    transcutol 1443.08
    n-heptanol 164.6
    ethylbenzene 102.49
    MIBK 465.84
    2-propoxyethanol 455.43
    tert-butanol 521.15
    MTBE 677.28
    2-butoxyethanol 375.67
    propionic acid 127.83
    o-xylene 102.24
    formic acid 13.57
    diethyl ether 412.51
    m-xylene 110.03
    p-xylene 139.18
    chlorobenzene 169.0
    dimethyl carbonate 46.97
    n-octane 22.57
    formamide 30.59
    cyclopentanone 763.08
    2-pentanone 474.67
    anisole 228.41
    cyclopentyl methyl ether 657.3
    gamma-butyrolactone 605.27
    1-methoxy-2-propanol 499.13
    pyridine 293.12
    3-pentanone 269.26
    furfural 374.2
    n-dodecane 11.87
    diethylene glycol 141.22
    diisopropyl ether 213.8
    tert-amyl alcohol 457.48
    acetylacetone 412.36
    n-hexadecane 14.59
    acetophenone 252.8
    methyl propionate 221.17
    isopentyl acetate 626.72
    trichloroethylene 588.18
    n-nonanol 143.41
    cyclohexanol 367.06
    benzyl alcohol 150.3
    2-ethylhexanol 235.35
    isooctanol 188.06
    dipropyl ether 454.99
    1,2-dichlorobenzene 200.6
    ethyl lactate 140.9
    propylene carbonate 333.95
    n-methylformamide 110.79
    2-pentanol 264.62
    n-pentane 46.64
    1-propoxy-2-propanol 508.88
    1-methoxy-2-propyl acetate 496.86
    2-(2-methoxypropoxy) propanol 297.97
    mesitylene 94.78
    ε-caprolactone 660.86
    p-cymene 94.59
    epichlorohydrin 728.26
    1,1,1-trichloroethane 432.76
    2-aminoethanol 53.72
    morpholine-4-carbaldehyde 489.33
    sulfolane 979.65
    2,2,4-trimethylpentane 41.18
    2-methyltetrahydrofuran 919.04
    n-hexyl acetate 485.92
    isooctane 34.25
    2-(2-butoxyethoxy)ethanol 456.15
    sec-butyl acetate 450.93
    tert-butyl acetate 635.85
    decalin 64.19
    glycerin 50.08
    diglyme 860.27
    acrylic acid 53.34
    isopropyl myristate 175.63
    n-butyric acid 396.32
    acetyl acetate 159.68
    di(2-ethylhexyl) phthalate 118.19
    ethyl propionate 367.04
    nitromethane 177.88
    1,2-diethoxyethane 666.16
    benzonitrile 159.56
    trioctyl phosphate 102.22
    1-bromopropane 358.33
    gamma-valerolactone 960.53
    n-decanol 98.07
    triethyl phosphate 173.79
    4-methyl-2-pentanol 210.58
    propionitrile 116.44
    vinylene carbonate 193.07
    1,1,2-trichlorotrifluoroethane 385.26
    DMS 179.46
    cumene 91.15
    2-octanol 143.9
    2-hexanone 496.65
    octyl acetate 196.9
    limonene 184.79
    1,2-dimethoxyethane 731.1
    ethyl orthosilicate 191.72
    tributyl phosphate 136.25
    diacetone alcohol 553.69
    N,N-dimethylaniline 178.21
    acrylonitrile 90.65
    aniline 130.13
    1,3-propanediol 143.78
    bromobenzene 191.68
    dibromomethane 342.12
    1,1,2,2-tetrachloroethane 654.51
    2-methyl-cyclohexyl acetate 379.35
    tetrabutyl urea 189.78
    diisobutyl methanol 167.82
    2-phenylethanol 182.88
    styrene 111.91
    dioctyl adipate 250.11
    dimethyl sulfate 122.68
    ethyl butyrate 470.65
    methyl lactate 95.31
    butyl lactate 299.68
    diethyl carbonate 194.65
    propanediol butyl ether 262.18
    triethyl orthoformate 347.89
    p-tert-butyltoluene 98.51
    methyl 4-tert-butylbenzoate 288.84
    morpholine 720.28
    tert-butylamine 357.0
    n-dodecanol 67.63
    dimethoxymethane 295.49
    ethylene carbonate 203.82
    cyrene 254.64
    2-ethoxyethyl acetate 459.23
    2-ethylhexyl acetate 484.86
    1,2,4-trichlorobenzene 235.61
    4-methylpyridine 328.53
    dibutyl ether 398.64
    2,6-dimethyl-4-heptanol 167.82
    DEF 481.02
    dimethyl isosorbide 599.42
    tetrachloroethylene 376.87
    eugenol 230.08
    triacetin 364.21
    span 80 290.16
    1,4-butanediol 52.53
    1,1-dichloroethane 383.02
    2-methyl-1-pentanol 271.85
    methyl formate 54.68
    2-methyl-1-butanol 286.67
    n-decane 29.6
    butyronitrile 218.77
    3,7-dimethyl-1-octanol 199.43
    1-chlorooctane 149.6
    1-chlorotetradecane 42.76
    n-nonane 29.95
    undecane 17.41
    tert-butylcyclohexane 62.31
    cyclooctane 37.41
    cyclopentanol 349.49
    tetrahydropyran 827.06
    tert-amyl methyl ether 458.88
    2,5,8-trioxanonane 482.04
    1-hexene 253.14
    2-isopropoxyethanol 347.16
    2,2,2-trifluoroethanol 29.15
    methyl butyrate 517.16

    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