Octa-2,4,6-trienoic acid

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  • Identifiers

    CAS number
    5205-32-3

    Molecular formula
    C8H10O2

    SMILES
    C/C=C/C=C/C=C/C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 50.58%
    Fatty 50.1%
    Green 48.08%
    Fruity 44.77%
    Spicy 40.13%
    Oily 32.14%
    Cinnamon 29.37%
    Nutty 29.06%
    Waxy 27.17%
    Tropical 25.18%

     

    Flavor
    Sweet 41.62%
    Spicy 32.56%
    Cinnamon 28.41%
    Balsam 24.41%
    Odorless 23.59%
    Oriental 21.86%
    Red hots 21.44%
    Pumpkin 21.34%
    Balsamic 21.29%
    Nitrile 21.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.28 (weak base)

    Molecular weight
    138.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    267°C

    Flash point

    • 127.5 ˚C est.

  • Synonyms

    • 2,4,6-Octatrienoic acid
    • Octatrienoic acid
    • Octa-2,4,6-trienoic acid
    • (2E,4E,6E)-octa-2,4,6-trienoic acid
    • 5205-32-3
    • (E,E,E)-2,4,6-Octatrienoic acid
    • 2,4,6-Octatrienoic acid, (E,E,E)-
    • 702XZO95X4
    • 2,4,6-Octatrienoic acid, (2E,4E,6E)-
    • 97329-94-7
    • DTXSID20242869
    • NSC 16188
    • LGD1550
    • RefChem:855427
    • OCTATRIENOIC ACID [INCI]
    • CHEBI:25654
    • DTXCID00165360
    • 622-483-2
    • UNII-702XZO95X4
    • SCHEMBL330198
    • SCHEMBL4116171
    • CHEMBL1208330
    • IAAPVNQZSBLWKH-ICDJNDDTSA-N
    • AKOS006374333
    • (2E,4E,6E)-2,4,6-Octatrienoic acid #
    • Q27265816
    • 5205-32-3

  • Applications

    Octa-2,4,6-trienoic acid (CAS 5205-32-3) is a short-chain polyunsaturated carboxylic acid that is commonly used as an intermediate in organic synthesis and oleochemical production; typical applications include acting as a monomer or comonomer in certain polymer and plastic systems, serving as a building block for esters and derived compounds used in coatings and inks, being evaluated for fragrance-related intermediates in perfumery, providing precursors for cosmetic and personal care ingredient synthesis, and potentially functioning as a feedstock for oleochemical derivatives in cleaning and household formulations. Real-world use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 434.13
    methanol 454.61
    isopropanol 245.97
    water 0.67
    ethyl acetate 135.44
    n-propanol 253.72
    acetone 361.63
    n-butanol 228.27
    acetonitrile 64.92
    DMF 1115.81
    toluene 25.28
    isobutanol 170.43
    1,4-dioxane 175.31
    methyl acetate 123.32
    THF 583.49
    2-butanone 211.73
    n-pentanol 185.4
    sec-butanol 196.33
    n-hexane 19.8
    ethylene glycol 129.74
    NMP 673.81
    cyclohexane 4.47
    DMSO 1167.7
    n-butyl acetate 140.0
    n-octanol 77.86
    chloroform 51.54
    n-propyl acetate 118.86
    acetic acid 219.24
    dichloromethane 46.54
    cyclohexanone 233.45
    propylene glycol 209.67
    isopropyl acetate 103.33
    DMAc 629.51
    2-ethoxyethanol 275.53
    isopentanol 196.62
    n-heptane 7.89
    ethyl formate 71.06
    1,2-dichloroethane 67.5
    n-hexanol 189.88
    2-methoxyethanol 457.4
    isobutyl acetate 84.71
    tetrachloromethane 9.87
    n-pentyl acetate 71.9
    transcutol 803.82
    n-heptanol 78.79
    ethylbenzene 27.22
    MIBK 148.9
    2-propoxyethanol 299.9
    tert-butanol 339.47
    MTBE 188.61
    2-butoxyethanol 161.18
    propionic acid 194.02
    o-xylene 31.35
    formic acid 98.03
    diethyl ether 117.59
    m-xylene 40.52
    p-xylene 31.44
    chlorobenzene 33.32
    dimethyl carbonate 73.99
    n-octane 3.39
    formamide 155.38
    cyclopentanone 438.41
    2-pentanone 227.13
    anisole 101.58
    cyclopentyl methyl ether 240.21
    gamma-butyrolactone 414.52
    1-methoxy-2-propanol 408.89
    pyridine 100.7
    3-pentanone 113.31
    furfural 219.87
    n-dodecane 3.55
    diethylene glycol 248.68
    diisopropyl ether 46.98
    tert-amyl alcohol 276.87
    acetylacetone 211.38
    n-hexadecane 3.97
    acetophenone 97.12
    methyl propionate 162.47
    isopentyl acetate 135.59
    trichloroethylene 122.3
    n-nonanol 65.88
    cyclohexanol 140.9
    benzyl alcohol 90.03
    2-ethylhexanol 94.6
    isooctanol 66.08
    dipropyl ether 81.79
    1,2-dichlorobenzene 38.34
    ethyl lactate 83.05
    propylene carbonate 167.64
    n-methylformamide 303.22
    2-pentanol 164.84
    n-pentane 8.52
    1-propoxy-2-propanol 221.29
    1-methoxy-2-propyl acetate 162.44
    2-(2-methoxypropoxy) propanol 180.87
    mesitylene 30.28
    ε-caprolactone 194.0
    p-cymene 23.93
    epichlorohydrin 296.38
    1,1,1-trichloroethane 50.57
    2-aminoethanol 264.06
    morpholine-4-carbaldehyde 373.42
    sulfolane 722.26
    2,2,4-trimethylpentane 10.22
    2-methyltetrahydrofuran 336.63
    n-hexyl acetate 122.2
    isooctane 9.99
    2-(2-butoxyethoxy)ethanol 253.5
    sec-butyl acetate 85.82
    tert-butyl acetate 163.6
    decalin 9.88
    glycerin 240.8
    diglyme 359.53
    acrylic acid 147.96
    isopropyl myristate 48.43
    n-butyric acid 214.28
    acetyl acetate 59.37
    di(2-ethylhexyl) phthalate 54.72
    ethyl propionate 102.83
    nitromethane 289.84
    1,2-diethoxyethane 151.55
    benzonitrile 71.48
    trioctyl phosphate 42.78
    1-bromopropane 39.0
    gamma-valerolactone 392.28
    n-decanol 50.92
    triethyl phosphate 48.7
    4-methyl-2-pentanol 104.51
    propionitrile 80.35
    vinylene carbonate 107.93
    1,1,2-trichlorotrifluoroethane 242.91
    DMS 88.51
    cumene 28.08
    2-octanol 52.6
    2-hexanone 163.69
    octyl acetate 65.76
    limonene 39.12
    1,2-dimethoxyethane 319.47
    ethyl orthosilicate 47.95
    tributyl phosphate 51.89
    diacetone alcohol 282.07
    N,N-dimethylaniline 88.86
    acrylonitrile 98.03
    aniline 77.74
    1,3-propanediol 251.09
    bromobenzene 25.03
    dibromomethane 33.68
    1,1,2,2-tetrachloroethane 123.17
    2-methyl-cyclohexyl acetate 83.9
    tetrabutyl urea 78.49
    diisobutyl methanol 56.78
    2-phenylethanol 99.84
    styrene 28.77
    dioctyl adipate 80.39
    dimethyl sulfate 181.4
    ethyl butyrate 82.52
    methyl lactate 143.96
    butyl lactate 93.14
    diethyl carbonate 52.69
    propanediol butyl ether 197.63
    triethyl orthoformate 63.98
    p-tert-butyltoluene 26.22
    methyl 4-tert-butylbenzoate 105.97
    morpholine 322.41
    tert-butylamine 186.26
    n-dodecanol 38.18
    dimethoxymethane 314.02
    ethylene carbonate 86.11
    cyrene 148.17
    2-ethoxyethyl acetate 109.56
    2-ethylhexyl acetate 94.8
    1,2,4-trichlorobenzene 57.41
    4-methylpyridine 129.2
    dibutyl ether 70.12
    2,6-dimethyl-4-heptanol 56.78
    DEF 265.49
    dimethyl isosorbide 260.41
    tetrachloroethylene 66.0
    eugenol 119.05
    triacetin 110.92
    span 80 155.03
    1,4-butanediol 123.65
    1,1-dichloroethane 53.87
    2-methyl-1-pentanol 167.07
    methyl formate 147.87
    2-methyl-1-butanol 179.37
    n-decane 5.66
    butyronitrile 103.99
    3,7-dimethyl-1-octanol 80.74
    1-chlorooctane 29.43
    1-chlorotetradecane 12.22
    n-nonane 5.31
    undecane 4.37
    tert-butylcyclohexane 15.38
    cyclooctane 2.72
    cyclopentanol 198.3
    tetrahydropyran 180.29
    tert-amyl methyl ether 161.09
    2,5,8-trioxanonane 270.29
    1-hexene 79.54
    2-isopropoxyethanol 204.61
    2,2,2-trifluoroethanol 54.75
    methyl butyrate 138.93

    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