5,8,11-Eicosatrienoic Acid

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  • Identifiers

    CAS number
    2751-14-6

    Molecular formula
    C20H34O2

    SMILES
    CCCCCCCC/C=C/C/C=C/C/C=C/CCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 84.08%
    Oily 60.35%
    Waxy 41.18%
    Fishy 25.68%
    Fruity 25.1%
    Dairy 24.88%
    Green 23.04%
    Meaty 21.61%
    Buttery 20.56%
    Milky 20.3%

     

    Flavor
    Fatty 28.24%
    Faint 26.58%
    Slightly waxy 19.38%
    Oriental 19.11%
    Delicate 18.96%
    Diterpene 18.68%
    Low 18.6%
    Pumpkin 18.47%
    Bay oil 18.25%
    Terpentine 18.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.0

    pKa est.
    7.77 (neutral)

    Molecular weight
    306.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    358°C

    Flash point

    • 225.24 ˚C est.

  • Synonyms

    • 5,8,11-Eicosatrienoic acid
    • CHEBI:165475
    • RefChem:1072272
    • 5, 8, 11-icosatrienoic acid
    • 2751-14-6
    • (5E,8E,11E)-icosa-5,8,11-trienoic acid
    • SCHEMBL371531
    • CHEBI:93688
    • Delta-5,8,11-eicosatrienoic acid
    • LMFA01030157
    • 5,8,11-Eicosatrienoic acid (VAN)
    • 2751-14-6

  • Applications

    5,8,11-Eicosatrienoic Acid (CAS 2751-14-6) is a long-chain polyunsaturated fatty acid that serves as a versatile oleochemical building block. In industry it is commonly used as a feedstock for the synthesis of fatty acid esters and triglycerides for cosmetics and personal care products, and as a component in specialty lubricants and lubricant basestocks. It can be used as a reactive intermediate for the production of polyunsaturated polymers and resins, including drying-oil–type coatings. It may also function as a precursor for fragrance-related esters in perfumery formulations, and as a carrier or adjuvant in agricultural formulations. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 123.0
    methanol 105.21
    isopropanol 102.79
    water 0.01
    ethyl acetate 112.29
    n-propanol 101.7
    acetone 122.22
    n-butanol 112.16
    acetonitrile 21.4
    DMF 169.38
    toluene 39.59
    isobutanol 76.31
    1,4-dioxane 164.99
    methyl acetate 62.22
    THF 573.38
    2-butanone 136.53
    n-pentanol 104.97
    sec-butanol 97.78
    n-hexane 22.01
    ethylene glycol 3.85
    NMP 254.85
    cyclohexane 35.19
    DMSO 370.64
    n-butyl acetate 159.36
    n-octanol 56.21
    chloroform 171.03
    n-propyl acetate 164.41
    acetic acid 43.9
    dichloromethane 186.37
    cyclohexanone 288.27
    propylene glycol 19.01
    isopropyl acetate 127.34
    DMAc 325.32
    2-ethoxyethanol 182.97
    isopentanol 129.69
    n-heptane 14.72
    ethyl formate 45.54
    1,2-dichloroethane 171.47
    n-hexanol 91.68
    2-methoxyethanol 178.91
    isobutyl acetate 121.99
    tetrachloromethane 34.84
    n-pentyl acetate 154.94
    transcutol 882.26
    n-heptanol 59.41
    ethylbenzene 42.62
    MIBK 172.28
    2-propoxyethanol 190.84
    tert-butanol 152.12
    MTBE 188.59
    2-butoxyethanol 154.2
    propionic acid 46.57
    o-xylene 40.73
    formic acid 10.48
    diethyl ether 136.92
    m-xylene 42.26
    p-xylene 49.01
    chlorobenzene 55.4
    dimethyl carbonate 24.96
    n-octane 7.12
    formamide 21.22
    cyclopentanone 271.47
    2-pentanone 175.73
    anisole 100.34
    cyclopentyl methyl ether 231.75
    gamma-butyrolactone 200.59
    1-methoxy-2-propanol 202.32
    pyridine 108.19
    3-pentanone 103.31
    furfural 145.47
    n-dodecane 4.71
    diethylene glycol 67.21
    diisopropyl ether 59.87
    tert-amyl alcohol 147.57
    acetylacetone 172.37
    n-hexadecane 5.51
    acetophenone 117.05
    methyl propionate 83.63
    isopentyl acetate 176.39
    trichloroethylene 230.24
    n-nonanol 58.39
    cyclohexanol 119.22
    benzyl alcohol 66.27
    2-ethylhexanol 77.44
    isooctanol 65.96
    dipropyl ether 132.06
    1,2-dichlorobenzene 67.37
    ethyl lactate 62.36
    propylene carbonate 113.32
    n-methylformamide 47.83
    2-pentanol 89.75
    n-pentane 11.71
    1-propoxy-2-propanol 192.96
    1-methoxy-2-propyl acetate 184.15
    2-(2-methoxypropoxy) propanol 149.92
    mesitylene 35.26
    ε-caprolactone 235.87
    p-cymene 35.05
    epichlorohydrin 293.35
    1,1,1-trichloroethane 129.42
    2-aminoethanol 25.65
    morpholine-4-carbaldehyde 221.85
    sulfolane 381.81
    2,2,4-trimethylpentane 14.43
    2-methyltetrahydrofuran 324.19
    n-hexyl acetate 169.97
    isooctane 10.79
    2-(2-butoxyethoxy)ethanol 229.16
    sec-butyl acetate 134.35
    tert-butyl acetate 197.45
    decalin 23.76
    glycerin 28.13
    diglyme 433.77
    acrylic acid 24.1
    isopropyl myristate 63.51
    n-butyric acid 132.2
    acetyl acetate 55.13
    di(2-ethylhexyl) phthalate 50.9
    ethyl propionate 114.14
    nitromethane 80.5
    1,2-diethoxyethane 293.23
    benzonitrile 57.11
    trioctyl phosphate 39.9
    1-bromopropane 116.95
    gamma-valerolactone 358.2
    n-decanol 39.29
    triethyl phosphate 68.27
    4-methyl-2-pentanol 71.35
    propionitrile 36.29
    vinylene carbonate 70.96
    1,1,2-trichlorotrifluoroethane 174.69
    DMS 71.95
    cumene 38.3
    2-octanol 46.24
    2-hexanone 187.05
    octyl acetate 71.8
    limonene 64.52
    1,2-dimethoxyethane 324.5
    ethyl orthosilicate 78.58
    tributyl phosphate 53.11
    diacetone alcohol 216.52
    N,N-dimethylaniline 88.78
    acrylonitrile 29.74
    aniline 51.71
    1,3-propanediol 61.57
    bromobenzene 60.76
    dibromomethane 130.56
    1,1,2,2-tetrachloroethane 254.49
    2-methyl-cyclohexyl acetate 140.52
    tetrabutyl urea 83.22
    diisobutyl methanol 57.71
    2-phenylethanol 73.64
    styrene 45.07
    dioctyl adipate 105.02
    dimethyl sulfate 60.87
    ethyl butyrate 135.5
    methyl lactate 49.34
    butyl lactate 117.24
    diethyl carbonate 65.93
    propanediol butyl ether 126.25
    triethyl orthoformate 118.57
    p-tert-butyltoluene 35.07
    methyl 4-tert-butylbenzoate 130.52
    morpholine 288.6
    tert-butylamine 94.54
    n-dodecanol 27.79
    dimethoxymethane 161.15
    ethylene carbonate 68.31
    cyrene 131.68
    2-ethoxyethyl acetate 184.35
    2-ethylhexyl acetate 136.5
    1,2,4-trichlorobenzene 81.53
    4-methylpyridine 119.08
    dibutyl ether 137.53
    2,6-dimethyl-4-heptanol 57.71
    DEF 188.54
    dimethyl isosorbide 300.6
    tetrachloroethylene 147.27
    eugenol 109.97
    triacetin 157.06
    span 80 133.79
    1,4-butanediol 24.23
    1,1-dichloroethane 121.17
    2-methyl-1-pentanol 117.94
    methyl formate 24.1
    2-methyl-1-butanol 106.09
    n-decane 10.01
    butyronitrile 67.15
    3,7-dimethyl-1-octanol 72.93
    1-chlorooctane 48.36
    1-chlorotetradecane 15.96
    n-nonane 9.47
    undecane 6.43
    tert-butylcyclohexane 20.79
    cyclooctane 11.05
    cyclopentanol 105.69
    tetrahydropyran 294.94
    tert-amyl methyl ether 156.41
    2,5,8-trioxanonane 270.65
    1-hexene 69.94
    2-isopropoxyethanol 157.89
    2,2,2-trifluoroethanol 12.59
    methyl butyrate 170.75

    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