Icosa-2,4,6,8-tetraenoic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    27400-91-5

    Molecular formula
    C20H32O2

    SMILES
    CCCCCCCCCCCC=CC=CC=CC=CC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 82.62%
    Oily 58.29%
    Waxy 36.47%
    Green 30.52%
    Fishy 25.99%
    Fruity 25.77%
    Woody 23.93%
    Dairy 22.9%
    Sweet 22.6%
    Citrus 22.59%

     

    Flavor
    Fatty 32.6%
    Citrus 23.88%
    Spicy 22.95%
    Sweet 22.84%
    Oriental 22.79%
    Pumpkin 21.99%
    Faint 21.43%
    Wax 21.23%
    Diterpene 21.04%
    Low 20.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.8

    pKa est.
    7.96 (neutral)

    Molecular weight
    304.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    375°C

    Flash point

    • 234.55 ˚C est.

  • Synonyms

    • Icosa-2,4,6,8-tetraenoic acid
    • DTXSID50700907
    • 27400-91-5
    • RefChem:147669
    • Icosa-2,4,6,8-tetraenoate
    • DTXCID80651655
    • eicosatetraenoic acid
    • cosatetraenoic acid
    • SCHEMBL25209
    • 27400-91-5

  • Applications

    Icosa-2,4,6,8-tetraenoic acid (CAS 27400-91-5) is a long-chain polyunsaturated fatty acid that serves as a versatile building block and intermediate for chemical synthesis. In industry, it is commonly used as a starting material for derivatives in drying-oil-based coatings and alkyd resins, and as a feedstock for the development of polymers and plasticizers; it also serves as a precursor for lubricants and specialty surfactants. In addition, it may be used in cosmetics and personal care as an emollient component or as a precursor for fragrance solvent systems, and it can be an ingredient for cleaning formulations and other specialty chemical applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 82.48
    methanol 66.86
    isopropanol 66.3
    water 0.01
    ethyl acetate 74.23
    n-propanol 69.85
    acetone 87.62
    n-butanol 68.48
    acetonitrile 14.34
    DMF 148.34
    toluene 30.29
    isobutanol 50.38
    1,4-dioxane 93.14
    methyl acetate 45.2
    THF 413.28
    2-butanone 101.58
    n-pentanol 63.47
    sec-butanol 61.52
    n-hexane 13.18
    ethylene glycol 2.63
    NMP 224.51
    cyclohexane 19.42
    DMSO 289.27
    n-butyl acetate 106.53
    n-octanol 32.99
    chloroform 124.93
    n-propyl acetate 106.18
    acetic acid 29.5
    dichloromethane 138.63
    cyclohexanone 208.42
    propylene glycol 13.2
    isopropyl acetate 84.04
    DMAc 261.75
    2-ethoxyethanol 108.17
    isopentanol 77.37
    n-heptane 9.29
    ethyl formate 30.82
    1,2-dichloroethane 136.45
    n-hexanol 55.76
    2-methoxyethanol 112.27
    isobutyl acetate 81.97
    tetrachloromethane 25.64
    n-pentyl acetate 101.29
    transcutol 471.29
    n-heptanol 36.13
    ethylbenzene 29.04
    MIBK 117.81
    2-propoxyethanol 121.69
    tert-butanol 94.77
    MTBE 114.72
    2-butoxyethanol 99.48
    propionic acid 34.73
    o-xylene 28.97
    formic acid 6.71
    diethyl ether 81.26
    m-xylene 30.41
    p-xylene 33.67
    chlorobenzene 40.31
    dimethyl carbonate 19.67
    n-octane 4.69
    formamide 15.14
    cyclopentanone 235.48
    2-pentanone 120.74
    anisole 67.04
    cyclopentyl methyl ether 163.92
    gamma-butyrolactone 165.0
    1-methoxy-2-propanol 137.05
    pyridine 81.48
    3-pentanone 74.52
    furfural 108.72
    n-dodecane 3.04
    diethylene glycol 39.98
    diisopropyl ether 38.84
    tert-amyl alcohol 93.39
    acetylacetone 121.96
    n-hexadecane 3.56
    acetophenone 82.61
    methyl propionate 60.66
    isopentyl acetate 120.11
    trichloroethylene 184.72
    n-nonanol 35.5
    cyclohexanol 74.33
    benzyl alcohol 45.0
    2-ethylhexanol 48.2
    isooctanol 41.46
    dipropyl ether 84.44
    1,2-dichlorobenzene 51.71
    ethyl lactate 44.07
    propylene carbonate 87.44
    n-methylformamide 38.85
    2-pentanol 54.73
    n-pentane 7.82
    1-propoxy-2-propanol 129.7
    1-methoxy-2-propyl acetate 128.47
    2-(2-methoxypropoxy) propanol 94.6
    mesitylene 24.61
    ε-caprolactone 161.81
    p-cymene 25.04
    epichlorohydrin 235.79
    1,1,1-trichloroethane 101.19
    2-aminoethanol 17.69
    morpholine-4-carbaldehyde 157.0
    sulfolane 331.29
    2,2,4-trimethylpentane 9.17
    2-methyltetrahydrofuran 228.7
    n-hexyl acetate 107.81
    isooctane 7.21
    2-(2-butoxyethoxy)ethanol 137.79
    sec-butyl acetate 89.12
    tert-butyl acetate 134.33
    decalin 14.65
    glycerin 18.47
    diglyme 267.96
    acrylic acid 17.97
    isopropyl myristate 42.6
    n-butyric acid 84.82
    acetyl acetate 38.04
    di(2-ethylhexyl) phthalate 32.98
    ethyl propionate 75.86
    nitromethane 57.64
    1,2-diethoxyethane 169.98
    benzonitrile 39.86
    trioctyl phosphate 25.95
    1-bromopropane 89.93
    gamma-valerolactone 269.1
    n-decanol 24.36
    triethyl phosphate 47.98
    4-methyl-2-pentanol 44.89
    propionitrile 25.33
    vinylene carbonate 51.34
    1,1,2-trichlorotrifluoroethane 134.32
    DMS 49.64
    cumene 26.63
    2-octanol 28.31
    2-hexanone 126.7
    octyl acetate 47.77
    limonene 44.26
    1,2-dimethoxyethane 200.53
    ethyl orthosilicate 53.99
    tributyl phosphate 34.55
    diacetone alcohol 154.7
    N,N-dimethylaniline 60.93
    acrylonitrile 22.69
    aniline 36.99
    1,3-propanediol 39.51
    bromobenzene 45.04
    dibromomethane 99.24
    1,1,2,2-tetrachloroethane 205.1
    2-methyl-cyclohexyl acetate 98.4
    tetrabutyl urea 56.89
    diisobutyl methanol 38.25
    2-phenylethanol 49.67
    styrene 30.88
    dioctyl adipate 68.86
    dimethyl sulfate 49.46
    ethyl butyrate 93.31
    methyl lactate 35.59
    butyl lactate 77.32
    diethyl carbonate 46.26
    propanediol butyl ether 77.01
    triethyl orthoformate 79.57
    p-tert-butyltoluene 25.84
    methyl 4-tert-butylbenzoate 92.01
    morpholine 178.88
    tert-butylamine 59.57
    n-dodecanol 17.24
    dimethoxymethane 111.7
    ethylene carbonate 48.02
    cyrene 95.41
    2-ethoxyethyl acetate 118.64
    2-ethylhexyl acetate 93.15
    1,2,4-trichlorobenzene 63.7
    4-methylpyridine 84.6
    dibutyl ether 81.78
    2,6-dimethyl-4-heptanol 38.25
    DEF 132.67
    dimethyl isosorbide 208.38
    tetrachloroethylene 110.71
    eugenol 75.69
    triacetin 100.78
    span 80 82.06
    1,4-butanediol 15.43
    1,1-dichloroethane 96.72
    2-methyl-1-pentanol 72.72
    methyl formate 19.68
    2-methyl-1-butanol 66.31
    n-decane 6.34
    butyronitrile 42.62
    3,7-dimethyl-1-octanol 44.77
    1-chlorooctane 31.67
    1-chlorotetradecane 10.63
    n-nonane 5.92
    undecane 4.13
    tert-butylcyclohexane 13.76
    cyclooctane 6.45
    cyclopentanol 76.53
    tetrahydropyran 179.56
    tert-amyl methyl ether 100.87
    2,5,8-trioxanonane 163.92
    1-hexene 43.95
    2-isopropoxyethanol 97.7
    2,2,2-trifluoroethanol 9.19
    methyl butyrate 113.46

    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