Hexadecanoic acid, 6-methyl-

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  • Identifiers

    CAS number
    17670-88-1

    Molecular formula
    C17H34O2

    SMILES
    CCCCCCCCCCC(C)CCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 79.95%
    Fatty 76.98%
    Oily 44.39%
    Creamy 31.84%
    Dairy 30.82%
    Milky 28.94%
    Odorless 26.11%
    Meaty 25.77%
    Soapy 25.07%
    Citrus 24.19%

     

    Flavor
    Fatty 57.11%
    Waxy 49.25%
    Mild 37.43%
    Fat 36.89%
    Faint 31.77%
    Oily 31.54%
    Bland 31.12%
    Coconut 30.99%
    Odorless 29.01%
    Slightly waxy 26.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    7.28 (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

    • 176.42 ˚C est.

  • Synonyms

    • Hexadecanoic acid, 6-methyl-
    • 17670-88-1
    • DTXSID20415238
    • RefChem:347461
    • DTXCID70366089
    • 6-methylhexadecanoic acid
    • 6-Methyl-hexadecansaure
    • SCHEMBL2183013
    • ZGIDDSJOJKBXCZ-UHFFFAOYSA-N
    • 17670-88-1

  • Applications

    Hexadecanoic acid, 6-methyl- (CAS 17670-88-1) is a branched long-chain fatty acid that serves as a versatile intermediate in oleochemical and polymer formulations. It is commonly used to synthesize branched fatty acid esters and lubricants, providing performance benefits for specialty lubricants and greases. It also acts as a precursor for surfactants, emulsifiers, and other ester derivatives employed in detergents and cleaners. In cosmetics and personal care, it can serve as a fatty acid source or be transformed into emollient esters. In coatings and plastics, it is used as a raw material for resin modifiers and plasticizer precursors to tailor hardness and flexibility. It may also be valued as a feedstock in the broader oleochemical industry for derivative production.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 827.77
    methanol 529.75
    isopropanol 905.58
    water 0.01
    ethyl acetate 827.03
    n-propanol 762.32
    acetone 872.19
    n-butanol 737.09
    acetonitrile 180.1
    DMF 1068.56
    toluene 227.56
    isobutanol 663.19
    1,4-dioxane 783.45
    methyl acetate 413.31
    THF 2589.18
    2-butanone 954.75
    n-pentanol 599.68
    sec-butanol 735.24
    n-hexane 230.17
    ethylene glycol 22.6
    NMP 1056.28
    cyclohexane 246.1
    DMSO 1407.41
    n-butyl acetate 1146.15
    n-octanol 269.85
    chloroform 790.07
    n-propyl acetate 1001.16
    acetic acid 213.3
    dichloromethane 802.3
    cyclohexanone 1671.48
    propylene glycol 114.3
    isopropyl acetate 899.65
    DMAc 1041.5
    2-ethoxyethanol 811.75
    isopentanol 830.69
    n-heptane 96.4
    ethyl formate 299.08
    1,2-dichloroethane 868.97
    n-hexanol 585.28
    2-methoxyethanol 949.38
    isobutyl acetate 715.63
    tetrachloromethane 218.94
    n-pentyl acetate 872.88
    transcutol 2850.27
    n-heptanol 313.62
    ethylbenzene 190.21
    MIBK 958.85
    2-propoxyethanol 957.83
    tert-butanol 1200.69
    MTBE 1655.24
    2-butoxyethanol 703.07
    propionic acid 323.17
    o-xylene 197.94
    formic acid 38.82
    diethyl ether 1069.97
    m-xylene 222.72
    p-xylene 245.3
    chlorobenzene 307.68
    dimethyl carbonate 110.96
    n-octane 33.47
    formamide 89.88
    cyclopentanone 1550.63
    2-pentanone 1158.93
    anisole 418.16
    cyclopentyl methyl ether 1400.66
    gamma-butyrolactone 1161.25
    1-methoxy-2-propanol 1166.3
    pyridine 570.78
    3-pentanone 599.89
    furfural 701.78
    n-dodecane 16.75
    diethylene glycol 331.96
    diisopropyl ether 457.46
    tert-amyl alcohol 1054.69
    acetylacetone 881.19
    n-hexadecane 20.83
    acetophenone 430.73
    methyl propionate 528.69
    isopentyl acetate 1160.63
    trichloroethylene 1096.09
    n-nonanol 252.2
    cyclohexanol 809.12
    benzyl alcohol 293.0
    2-ethylhexanol 475.34
    isooctanol 342.1
    dipropyl ether 862.92
    1,2-dichlorobenzene 347.75
    ethyl lactate 278.78
    propylene carbonate 620.84
    n-methylformamide 339.79
    2-pentanol 639.16
    n-pentane 107.13
    1-propoxy-2-propanol 1007.19
    1-methoxy-2-propyl acetate 942.6
    2-(2-methoxypropoxy) propanol 505.64
    mesitylene 177.31
    ε-caprolactone 1244.19
    p-cymene 152.14
    epichlorohydrin 1411.06
    1,1,1-trichloroethane 749.26
    2-aminoethanol 170.76
    morpholine-4-carbaldehyde 947.67
    sulfolane 1797.36
    2,2,4-trimethylpentane 80.96
    2-methyltetrahydrofuran 1846.65
    n-hexyl acetate 872.54
    isooctane 65.01
    2-(2-butoxyethoxy)ethanol 812.35
    sec-butyl acetate 839.45
    tert-butyl acetate 1230.79
    decalin 110.09
    glycerin 129.7
    diglyme 1491.19
    acrylic acid 136.28
    isopropyl myristate 275.1
    n-butyric acid 877.97
    acetyl acetate 319.5
    di(2-ethylhexyl) phthalate 193.2
    ethyl propionate 719.31
    nitromethane 438.81
    1,2-diethoxyethane 1193.04
    benzonitrile 300.5
    trioctyl phosphate 169.95
    1-bromopropane 688.77
    gamma-valerolactone 1837.91
    n-decanol 169.51
    triethyl phosphate 272.55
    4-methyl-2-pentanol 465.87
    propionitrile 276.14
    vinylene carbonate 368.68
    1,1,2-trichlorotrifluoroethane 774.24
    DMS 326.23
    cumene 160.48
    2-octanol 262.97
    2-hexanone 1050.74
    octyl acetate 322.21
    limonene 308.19
    1,2-dimethoxyethane 1479.78
    ethyl orthosilicate 309.05
    tributyl phosphate 225.49
    diacetone alcohol 1091.62
    N,N-dimethylaniline 312.39
    acrylonitrile 223.87
    aniline 302.34
    1,3-propanediol 391.98
    bromobenzene 345.45
    dibromomethane 619.32
    1,1,2,2-tetrachloroethane 1156.91
    2-methyl-cyclohexyl acetate 600.24
    tetrabutyl urea 300.39
    diisobutyl methanol 295.41
    2-phenylethanol 343.78
    styrene 216.62
    dioctyl adipate 388.35
    dimethyl sulfate 266.08
    ethyl butyrate 809.45
    methyl lactate 224.09
    butyl lactate 533.17
    diethyl carbonate 332.32
    propanediol butyl ether 526.0
    triethyl orthoformate 575.09
    p-tert-butyltoluene 158.39
    methyl 4-tert-butylbenzoate 468.52
    morpholine 1557.58
    tert-butylamine 803.73
    n-dodecanol 115.73
    dimethoxymethane 754.44
    ethylene carbonate 387.96
    cyrene 412.21
    2-ethoxyethyl acetate 823.67
    2-ethylhexyl acetate 872.96
    1,2,4-trichlorobenzene 402.18
    4-methylpyridine 671.59
    dibutyl ether 709.48
    2,6-dimethyl-4-heptanol 295.41
    DEF 1100.55
    dimethyl isosorbide 929.95
    tetrachloroethylene 700.83
    eugenol 378.15
    triacetin 603.89
    span 80 480.68
    1,4-butanediol 142.02
    1,1-dichloroethane 752.46
    2-methyl-1-pentanol 599.95
    methyl formate 152.07
    2-methyl-1-butanol 686.93
    n-decane 42.98
    butyronitrile 496.7
    3,7-dimethyl-1-octanol 367.57
    1-chlorooctane 246.22
    1-chlorotetradecane 65.48
    n-nonane 44.25
    undecane 24.97
    tert-butylcyclohexane 110.19
    cyclooctane 64.41
    cyclopentanol 796.05
    tetrahydropyran 1789.02
    tert-amyl methyl ether 1020.45
    2,5,8-trioxanonane 791.12
    1-hexene 628.28
    2-isopropoxyethanol 738.32
    2,2,2-trifluoroethanol 69.33
    methyl butyrate 1023.21

    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