7-Methylhexadecanoic acid

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  • Identifiers

    CAS number
    56796-91-9

    Molecular formula
    C17H34O2

    SMILES
    CCCCCCCCCC(C)CCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 80.2%
    Fatty 77.34%
    Oily 44.8%
    Creamy 32.32%
    Dairy 31.38%
    Milky 29.14%
    Odorless 25.79%
    Soapy 25.73%
    Meaty 25.54%
    Citrus 24.85%

     

    Flavor
    Fatty 57.78%
    Waxy 49.68%
    Mild 37.52%
    Fat 37.3%
    Oily 31.98%
    Faint 31.71%
    Coconut 31.49%
    Bland 30.96%
    Odorless 28.91%
    Slightly waxy 26.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    7.36 (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

    • 172.66 ˚C est.

  • Synonyms

    • 7-methylhexadecanoic acid
    • 7-methyl-hexadecanoic acid
    • LMFA01020200
    • 56796-91-9
    • SCHEMBL951734
    • DTXSID20415551
    • CHEBI:179973
    • UQHCSAXPQPCWOO-UHFFFAOYSA-N
    • 56796-91-9

  • Applications

    7-Methylhexadecanoic acid (CAS 56796-91-9) is a long-chain branched saturated fatty acid that acts as a chemical intermediate and feedstock. In industry, it is commonly used to prepare fatty acid esters for lubricants and plasticizers, and to produce surfactants and emulsifiers for cosmetics and household cleaners. It can also serve as a fatty-acid-derived modifier in polymer and plastics formulations to influence processing and performance, and as an additive in coatings and inks to enhance compatibility and hydrophobicity.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1153.54
    methanol 692.25
    isopropanol 1252.71
    water 0.01
    ethyl acetate 859.28
    n-propanol 915.12
    acetone 982.84
    n-butanol 845.42
    acetonitrile 205.44
    DMF 940.94
    toluene 181.43
    isobutanol 746.08
    1,4-dioxane 875.27
    methyl acetate 402.03
    THF 2775.14
    2-butanone 958.34
    n-pentanol 670.2
    sec-butanol 826.36
    n-hexane 188.4
    ethylene glycol 22.73
    NMP 809.23
    cyclohexane 228.39
    DMSO 1220.54
    n-butyl acetate 1124.11
    n-octanol 277.84
    chloroform 659.06
    n-propyl acetate 1010.6
    acetic acid 240.13
    dichloromethane 694.21
    cyclohexanone 1545.3
    propylene glycol 123.92
    isopropyl acetate 974.18
    DMAc 852.87
    2-ethoxyethanol 863.68
    isopentanol 942.5
    n-heptane 96.48
    ethyl formate 304.94
    1,2-dichloroethane 728.65
    n-hexanol 622.77
    2-methoxyethanol 1093.73
    isobutyl acetate 720.9
    tetrachloromethane 161.66
    n-pentyl acetate 838.06
    transcutol 2773.05
    n-heptanol 338.86
    ethylbenzene 161.39
    MIBK 965.83
    2-propoxyethanol 999.23
    tert-butanol 1520.91
    MTBE 1636.87
    2-butoxyethanol 731.26
    propionic acid 309.9
    o-xylene 155.12
    formic acid 37.99
    diethyl ether 1151.94
    m-xylene 187.16
    p-xylene 209.19
    chlorobenzene 257.01
    dimethyl carbonate 87.0
    n-octane 36.11
    formamide 83.1
    cyclopentanone 1369.24
    2-pentanone 1177.32
    anisole 364.6
    cyclopentyl methyl ether 1217.61
    gamma-butyrolactone 1026.41
    1-methoxy-2-propanol 1274.62
    pyridine 530.1
    3-pentanone 523.29
    furfural 601.07
    n-dodecane 19.16
    diethylene glycol 342.27
    diisopropyl ether 458.15
    tert-amyl alcohol 1081.22
    acetylacetone 872.91
    n-hexadecane 23.38
    acetophenone 380.09
    methyl propionate 458.93
    isopentyl acetate 1151.66
    trichloroethylene 850.21
    n-nonanol 258.3
    cyclohexanol 814.26
    benzyl alcohol 272.23
    2-ethylhexanol 475.91
    isooctanol 359.64
    dipropyl ether 898.88
    1,2-dichlorobenzene 274.16
    ethyl lactate 254.58
    propylene carbonate 550.02
    n-methylformamide 310.63
    2-pentanol 717.92
    n-pentane 94.17
    1-propoxy-2-propanol 1053.77
    1-methoxy-2-propyl acetate 902.24
    2-(2-methoxypropoxy) propanol 470.25
    mesitylene 148.9
    ε-caprolactone 1165.02
    p-cymene 136.37
    epichlorohydrin 1287.68
    1,1,1-trichloroethane 614.34
    2-aminoethanol 176.73
    morpholine-4-carbaldehyde 846.06
    sulfolane 1407.94
    2,2,4-trimethylpentane 65.75
    2-methyltetrahydrofuran 1805.37
    n-hexyl acetate 829.43
    isooctane 61.35
    2-(2-butoxyethoxy)ethanol 813.0
    sec-butyl acetate 833.87
    tert-butyl acetate 1227.68
    decalin 93.35
    glycerin 131.52
    diglyme 1478.38
    acrylic acid 118.5
    isopropyl myristate 272.43
    n-butyric acid 968.14
    acetyl acetate 314.73
    di(2-ethylhexyl) phthalate 180.58
    ethyl propionate 664.71
    nitromethane 438.6
    1,2-diethoxyethane 1253.26
    benzonitrile 275.69
    trioctyl phosphate 160.75
    1-bromopropane 632.02
    gamma-valerolactone 1795.78
    n-decanol 175.81
    triethyl phosphate 237.25
    4-methyl-2-pentanol 509.84
    propionitrile 287.09
    vinylene carbonate 324.77
    1,1,2-trichlorotrifluoroethane 639.54
    DMS 280.05
    cumene 138.9
    2-octanol 271.87
    2-hexanone 1055.85
    octyl acetate 309.61
    limonene 285.31
    1,2-dimethoxyethane 1621.21
    ethyl orthosilicate 271.24
    tributyl phosphate 207.49
    diacetone alcohol 1123.06
    N,N-dimethylaniline 261.85
    acrylonitrile 211.75
    aniline 246.89
    1,3-propanediol 438.73
    bromobenzene 274.48
    dibromomethane 541.17
    1,1,2,2-tetrachloroethane 907.57
    2-methyl-cyclohexyl acetate 553.69
    tetrabutyl urea 278.42
    diisobutyl methanol 308.23
    2-phenylethanol 325.72
    styrene 181.94
    dioctyl adipate 364.53
    dimethyl sulfate 185.83
    ethyl butyrate 813.75
    methyl lactate 193.19
    butyl lactate 496.75
    diethyl carbonate 311.63
    propanediol butyl ether 511.95
    triethyl orthoformate 536.11
    p-tert-butyltoluene 143.0
    methyl 4-tert-butylbenzoate 415.01
    morpholine 1690.76
    tert-butylamine 947.97
    n-dodecanol 124.96
    dimethoxymethane 723.88
    ethylene carbonate 355.62
    cyrene 371.71
    2-ethoxyethyl acetate 768.0
    2-ethylhexyl acetate 833.43
    1,2,4-trichlorobenzene 305.38
    4-methylpyridine 595.28
    dibutyl ether 740.74
    2,6-dimethyl-4-heptanol 308.23
    DEF 968.41
    dimethyl isosorbide 852.84
    tetrachloroethylene 541.06
    eugenol 343.4
    triacetin 544.61
    span 80 463.97
    1,4-butanediol 147.29
    1,1-dichloroethane 690.37
    2-methyl-1-pentanol 623.05
    methyl formate 134.34
    2-methyl-1-butanol 716.47
    n-decane 48.61
    butyronitrile 561.84
    3,7-dimethyl-1-octanol 364.2
    1-chlorooctane 239.86
    1-chlorotetradecane 67.48
    n-nonane 48.91
    undecane 28.22
    tert-butylcyclohexane 96.77
    cyclooctane 57.42
    cyclopentanol 781.71
    tetrahydropyran 1898.99
    tert-amyl methyl ether 905.54
    2,5,8-trioxanonane 788.49
    1-hexene 593.91
    2-isopropoxyethanol 761.39
    2,2,2-trifluoroethanol 59.1
    methyl butyrate 956.43

    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