2,4-Octadienoic acid

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  • Identifiers

    CAS number
    83615-26-3

    Molecular formula
    C8H12O2

    SMILES
    CCCC=CC=CC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 84.63%
    Green 75.03%
    Fruity 71.85%
    Waxy 54.85%
    Dairy 52.91%
    Oily 47.28%
    Melon 38.98%
    Cheesy 36.13%
    Buttery 34.91%
    Vegetable 33.25%

     

    Flavor
    Fatty 50.09%
    Sweet 42.72%
    Green 38.09%
    Oily 32.32%
    Fat 31.15%
    Fruity 28.58%
    Spicy 27.12%
    Herbal 22.96%
    Waxy 22.73%
    Pumpkin 22.44%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.06 (weak base)

    Molecular weight
    140.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    248°C

    Flash point

    • 120.38 ˚C est.

  • Synonyms

    • 2,4-Octadienoic acid
    • RefChem:82632
    • 83615-26-3
    • SCHEMBL1877127
    • DTXSID601346942
    • 83615-26-3

  • Applications

    2,4-Octadienoic acid is primarily used as a chemical building block in organic synthesis. It serves as a reactive diacid monomer for unsaturated polyesters and other specialty polymers, and as a crosslinking component in coatings, inks, and adhesive formulations. It is employed as an intermediate in the manufacture of pharmaceuticals and agrochemicals, enabling routes to diverse active ingredients. In cosmetics and personal care, it may be used as a reactive building block for polymeric ingredients or as a precursor to fragrance-related compounds. Additionally, it can act as a starting point for fragrance and flavor compound synthesis, depending on formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 573.26
    methanol 788.41
    isopropanol 282.59
    water 0.63
    ethyl acetate 229.2
    n-propanol 343.04
    acetone 491.76
    n-butanol 308.96
    acetonitrile 77.47
    DMF 1515.94
    toluene 44.68
    isobutanol 250.77
    1,4-dioxane 156.6
    methyl acetate 157.27
    THF 846.14
    2-butanone 321.2
    n-pentanol 253.94
    sec-butanol 244.08
    n-hexane 27.77
    ethylene glycol 190.64
    NMP 1193.18
    cyclohexane 7.91
    DMSO 1941.27
    n-butyl acetate 269.78
    n-octanol 93.95
    chloroform 74.44
    n-propyl acetate 182.78
    acetic acid 369.36
    dichloromethane 87.3
    cyclohexanone 434.32
    propylene glycol 283.97
    isopropyl acetate 177.75
    DMAc 798.85
    2-ethoxyethanol 370.67
    isopentanol 305.29
    n-heptane 10.47
    ethyl formate 113.92
    1,2-dichloroethane 129.23
    n-hexanol 291.88
    2-methoxyethanol 702.34
    isobutyl acetate 130.12
    tetrachloromethane 18.68
    n-pentyl acetate 119.67
    transcutol 1265.69
    n-heptanol 104.32
    ethylbenzene 41.24
    MIBK 244.61
    2-propoxyethanol 469.71
    tert-butanol 422.86
    MTBE 234.84
    2-butoxyethanol 222.6
    propionic acid 282.31
    o-xylene 50.52
    formic acid 171.83
    diethyl ether 118.3
    m-xylene 70.12
    p-xylene 47.42
    chlorobenzene 62.23
    dimethyl carbonate 110.47
    n-octane 4.1
    formamide 260.53
    cyclopentanone 808.11
    2-pentanone 371.91
    anisole 128.25
    cyclopentyl methyl ether 423.1
    gamma-butyrolactone 707.9
    1-methoxy-2-propanol 609.18
    pyridine 146.53
    3-pentanone 184.17
    furfural 375.18
    n-dodecane 3.81
    diethylene glycol 371.49
    diisopropyl ether 66.15
    tert-amyl alcohol 377.52
    acetylacetone 358.42
    n-hexadecane 4.31
    acetophenone 142.19
    methyl propionate 267.99
    isopentyl acetate 260.24
    trichloroethylene 243.96
    n-nonanol 79.09
    cyclohexanol 222.44
    benzyl alcohol 133.51
    2-ethylhexanol 149.69
    isooctanol 89.07
    dipropyl ether 106.46
    1,2-dichlorobenzene 72.0
    ethyl lactate 121.36
    propylene carbonate 292.83
    n-methylformamide 488.26
    2-pentanol 213.66
    n-pentane 11.61
    1-propoxy-2-propanol 354.11
    1-methoxy-2-propyl acetate 286.83
    2-(2-methoxypropoxy) propanol 252.12
    mesitylene 52.09
    ε-caprolactone 347.92
    p-cymene 35.55
    epichlorohydrin 508.58
    1,1,1-trichloroethane 90.51
    2-aminoethanol 387.12
    morpholine-4-carbaldehyde 577.4
    sulfolane 1282.7
    2,2,4-trimethylpentane 15.17
    2-methyltetrahydrofuran 531.38
    n-hexyl acetate 185.65
    isooctane 15.12
    2-(2-butoxyethoxy)ethanol 371.68
    sec-butyl acetate 133.93
    tert-butyl acetate 291.55
    decalin 15.14
    glycerin 363.12
    diglyme 490.22
    acrylic acid 229.83
    isopropyl myristate 64.63
    n-butyric acid 369.85
    acetyl acetate 103.34
    di(2-ethylhexyl) phthalate 81.6
    ethyl propionate 161.11
    nitromethane 467.44
    1,2-diethoxyethane 216.0
    benzonitrile 105.75
    trioctyl phosphate 61.45
    1-bromopropane 59.97
    gamma-valerolactone 674.29
    n-decanol 60.06
    triethyl phosphate 67.52
    4-methyl-2-pentanol 151.84
    propionitrile 103.67
    vinylene carbonate 174.93
    1,1,2-trichlorotrifluoroethane 420.3
    DMS 137.57
    cumene 41.03
    2-octanol 69.23
    2-hexanone 255.4
    octyl acetate 91.99
    limonene 61.01
    1,2-dimethoxyethane 396.78
    ethyl orthosilicate 67.58
    tributyl phosphate 80.36
    diacetone alcohol 474.95
    N,N-dimethylaniline 115.76
    acrylonitrile 147.0
    aniline 120.78
    1,3-propanediol 380.07
    bromobenzene 54.46
    dibromomethane 61.14
    1,1,2,2-tetrachloroethane 224.76
    2-methyl-cyclohexyl acetate 131.79
    tetrabutyl urea 115.87
    diisobutyl methanol 84.79
    2-phenylethanol 154.2
    styrene 43.04
    dioctyl adipate 114.92
    dimethyl sulfate 284.48
    ethyl butyrate 138.5
    methyl lactate 212.92
    butyl lactate 151.42
    diethyl carbonate 78.01
    propanediol butyl ether 301.05
    triethyl orthoformate 98.77
    p-tert-butyltoluene 38.85
    methyl 4-tert-butylbenzoate 148.95
    morpholine 355.05
    tert-butylamine 228.3
    n-dodecanol 44.5
    dimethoxymethane 439.92
    ethylene carbonate 143.97
    cyrene 222.3
    2-ethoxyethyl acetate 178.97
    2-ethylhexyl acetate 176.85
    1,2,4-trichlorobenzene 102.5
    4-methylpyridine 198.19
    dibutyl ether 82.56
    2,6-dimethyl-4-heptanol 84.79
    DEF 437.94
    dimethyl isosorbide 390.95
    tetrachloroethylene 134.28
    eugenol 168.17
    triacetin 157.21
    span 80 222.23
    1,4-butanediol 181.07
    1,1-dichloroethane 86.6
    2-methyl-1-pentanol 248.03
    methyl formate 225.25
    2-methyl-1-butanol 285.03
    n-decane 5.73
    butyronitrile 135.18
    3,7-dimethyl-1-octanol 108.15
    1-chlorooctane 34.79
    1-chlorotetradecane 14.31
    n-nonane 5.38
    undecane 4.64
    tert-butylcyclohexane 22.03
    cyclooctane 4.74
    cyclopentanol 337.14
    tetrahydropyran 200.01
    tert-amyl methyl ether 225.62
    2,5,8-trioxanonane 360.07
    1-hexene 100.43
    2-isopropoxyethanol 277.13
    2,2,2-trifluoroethanol 85.01
    methyl butyrate 224.15

    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