trans-6-Hexadecenoic acid

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  • Identifiers

    CAS number
    28290-76-8

    Molecular formula
    C16H30O2

    SMILES
    CCCCCCCCC/C=C/CCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 84.9%
    Waxy 67.95%
    Oily 55.21%
    Dairy 36.92%
    Creamy 30.52%
    Milky 29.63%
    Meaty 26.31%
    Citrus 25.35%
    Soapy 23.36%
    Savory 23.31%

     

    Flavor
    Fatty 55.73%
    Waxy 43.66%
    Faint 32.74%
    Fat 30.1%
    Mild 26.25%
    Oily 25.33%
    Slightly waxy 24.39%
    Bay oil 23.08%
    Soapy 21.97%
    Creamy 21.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    7.13 (neutral)

    Molecular weight
    254.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    338°C

    Flash point

    • 180.59 ˚C est.

  • Synonyms

    • trans-6-Hexadecenoic acid
    • 6-Hexadecenoic acid, (E)-
    • 6-Hexadecenoic acid, (6E)-
    • (E)-hexadec-6-enoic acid
    • 83IC4QWN1J
    • 6-Hexadecenoic acid, trans-
    • 28290-76-8
    • DTXSID401312010
    • RefChem:1100246
    • DTXCID40984916
    • 6E-Hexadecenoic acid
    • UNII-83IC4QWN1J
    • 7-palmitoleic acid
    • (e)-6-hexadecenoic acid
    • (6E)-6-hexadecenoic acid
    • (6E)-Hexadec-6-enoic acid
    • SCHEMBL1029225
    • CHEBI:165483
    • LMFA01031082
    • AS-85931
    • Q27269436
    • 28290-76-8

  • Applications

    trans-6-Hexadecenoic acid (CAS 28290-76-8) is a C16 monounsaturated fatty acid used primarily as a chemical feedstock and intermediate in oleochemical and materials production. In industry, it is commonly converted to fatty acid esters and triglycerides for use as lubricants and lubricant base oils; as a building block for plasticizers and polymer additives used in plastics, coatings, and inks; as a precursor for cosmetic and personal-care emollients and conditioning esters; as a surfactant precursor for the synthesis of detergents and household cleaners; and as a fatty component in coatings formulations and adhesive formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 527.41
    methanol 385.73
    isopropanol 571.01
    water 0.01
    ethyl acetate 345.53
    n-propanol 448.61
    acetone 479.51
    n-butanol 465.2
    acetonitrile 94.88
    DMF 531.51
    toluene 115.85
    isobutanol 369.89
    1,4-dioxane 472.05
    methyl acetate 174.8
    THF 1444.96
    2-butanone 437.68
    n-pentanol 419.34
    sec-butanol 442.82
    n-hexane 167.2
    ethylene glycol 15.18
    NMP 464.66
    cyclohexane 157.59
    DMSO 902.62
    n-butyl acetate 478.86
    n-octanol 169.0
    chloroform 389.68
    n-propyl acetate 439.06
    acetic acid 127.05
    dichloromethane 391.6
    cyclohexanone 731.63
    propylene glycol 75.17
    isopropyl acetate 380.05
    DMAc 525.71
    2-ethoxyethanol 467.08
    isopentanol 511.43
    n-heptane 72.86
    ethyl formate 128.84
    1,2-dichloroethane 411.28
    n-hexanol 383.61
    2-methoxyethanol 534.19
    isobutyl acetate 330.49
    tetrachloromethane 84.82
    n-pentyl acetate 377.56
    transcutol 1649.34
    n-heptanol 193.78
    ethylbenzene 112.88
    MIBK 476.24
    2-propoxyethanol 544.57
    tert-butanol 709.33
    MTBE 723.51
    2-butoxyethanol 379.92
    propionic acid 147.42
    o-xylene 102.55
    formic acid 22.11
    diethyl ether 603.4
    m-xylene 118.16
    p-xylene 128.68
    chlorobenzene 142.72
    dimethyl carbonate 50.82
    n-octane 27.31
    formamide 42.8
    cyclopentanone 689.1
    2-pentanone 569.23
    anisole 217.53
    cyclopentyl methyl ether 669.32
    gamma-butyrolactone 471.55
    1-methoxy-2-propanol 632.61
    pyridine 285.66
    3-pentanone 274.16
    furfural 313.75
    n-dodecane 15.9
    diethylene glycol 198.32
    diisopropyl ether 225.2
    tert-amyl alcohol 552.1
    acetylacetone 414.2
    n-hexadecane 18.57
    acetophenone 228.11
    methyl propionate 220.24
    isopentyl acetate 479.01
    trichloroethylene 473.37
    n-nonanol 161.79
    cyclohexanol 430.88
    benzyl alcohol 169.2
    2-ethylhexanol 277.27
    isooctanol 196.58
    dipropyl ether 482.48
    1,2-dichlorobenzene 155.38
    ethyl lactate 136.92
    propylene carbonate 246.01
    n-methylformamide 145.12
    2-pentanol 411.07
    n-pentane 78.53
    1-propoxy-2-propanol 525.56
    1-methoxy-2-propyl acetate 414.44
    2-(2-methoxypropoxy) propanol 296.59
    mesitylene 97.89
    ε-caprolactone 538.99
    p-cymene 83.02
    epichlorohydrin 650.53
    1,1,1-trichloroethane 321.54
    2-aminoethanol 102.95
    morpholine-4-carbaldehyde 458.36
    sulfolane 748.74
    2,2,4-trimethylpentane 46.58
    2-methyltetrahydrofuran 921.56
    n-hexyl acetate 416.52
    isooctane 42.49
    2-(2-butoxyethoxy)ethanol 490.63
    sec-butyl acetate 354.52
    tert-butyl acetate 499.13
    decalin 74.93
    glycerin 86.5
    diglyme 815.36
    acrylic acid 64.5
    isopropyl myristate 154.48
    n-butyric acid 420.68
    acetyl acetate 133.09
    di(2-ethylhexyl) phthalate 114.23
    ethyl propionate 310.36
    nitromethane 194.16
    1,2-diethoxyethane 663.47
    benzonitrile 154.86
    trioctyl phosphate 96.83
    1-bromopropane 381.91
    gamma-valerolactone 790.53
    n-decanol 114.24
    triethyl phosphate 132.37
    4-methyl-2-pentanol 272.72
    propionitrile 146.03
    vinylene carbonate 154.63
    1,1,2-trichlorotrifluoroethane 355.22
    DMS 155.67
    cumene 94.78
    2-octanol 151.4
    2-hexanone 532.54
    octyl acetate 179.57
    limonene 168.0
    1,2-dimethoxyethane 821.57
    ethyl orthosilicate 151.15
    tributyl phosphate 122.0
    diacetone alcohol 524.05
    N,N-dimethylaniline 181.0
    acrylonitrile 111.18
    aniline 142.57
    1,3-propanediol 227.42
    bromobenzene 154.24
    dibromomethane 329.73
    1,1,2,2-tetrachloroethane 539.49
    2-methyl-cyclohexyl acetate 290.49
    tetrabutyl urea 170.63
    diisobutyl methanol 178.32
    2-phenylethanol 194.67
    styrene 122.82
    dioctyl adipate 214.91
    dimethyl sulfate 108.72
    ethyl butyrate 350.5
    methyl lactate 114.28
    butyl lactate 255.62
    diethyl carbonate 152.24
    propanediol butyl ether 307.88
    triethyl orthoformate 255.41
    p-tert-butyltoluene 87.92
    methyl 4-tert-butylbenzoate 242.13
    morpholine 863.82
    tert-butylamine 469.85
    n-dodecanol 83.84
    dimethoxymethane 426.62
    ethylene carbonate 155.29
    cyrene 235.3
    2-ethoxyethyl acetate 372.05
    2-ethylhexyl acetate 365.09
    1,2,4-trichlorobenzene 175.31
    4-methylpyridine 326.03
    dibutyl ether 396.75
    2,6-dimethyl-4-heptanol 178.32
    DEF 480.1
    dimethyl isosorbide 510.76
    tetrachloroethylene 318.19
    eugenol 213.09
    triacetin 296.03
    span 80 290.96
    1,4-butanediol 86.65
    1,1-dichloroethane 360.35
    2-methyl-1-pentanol 377.63
    methyl formate 65.72
    2-methyl-1-butanol 399.41
    n-decane 34.49
    butyronitrile 282.47
    3,7-dimethyl-1-octanol 217.7
    1-chlorooctane 149.46
    1-chlorotetradecane 48.5
    n-nonane 35.17
    undecane 21.98
    tert-butylcyclohexane 69.73
    cyclooctane 47.42
    cyclopentanol 403.73
    tetrahydropyran 975.33
    tert-amyl methyl ether 474.02
    2,5,8-trioxanonane 500.66
    1-hexene 413.55
    2-isopropoxyethanol 415.08
    2,2,2-trifluoroethanol 27.98
    methyl butyrate 441.36

    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