2,4-Octadienoic acid, 4-ethyl-

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  • Identifiers

    CAS number
    72928-47-3

    Molecular formula
    C10H16O2

    SMILES
    CCC/C=C(\CC)/C=C/C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 69.49%
    Fruity 63.78%
    Green 59.25%
    Waxy 44.78%
    Oily 43.53%
    Dairy 40.75%
    Herbal 39.14%
    Milky 30.33%
    Citrus 27.69%
    Fresh 26.44%

     

    Flavor
    Fatty 40.28%
    Herbal 37.4%
    Green 36.58%
    Sweet 34.01%
    Spicy 33.33%
    Fruity 31.71%
    Oily 30.01%
    Woody 28.21%
    Waxy 26.07%
    Fat 24.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.91 (weak base)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    265°C

    Flash point

    • 138.36 ˚C est.

  • Synonyms

    • 2,4-Octadienoic acid, 4-ethyl-
    • 4-Ethyl-2,4-octadienoic acid
    • 72928-47-3
    • DTXSID2072671
    • EINECS 277-076-9
    • RefChem:443939
    • DTXCID8047424
    • 4-Ethylocta-2,4-dienoic acid
    • (2E,4E)-4-ethylocta-2,4-dienoic acid
    • SCHEMBL13347104
    • BUTSDNCRRVJDHN-KHHFIZIMSA-N
    • 72928-47-3

  • Applications

    2,4-Octadienoic acid, 4-ethyl- (CAS 72928-47-3) is an unsaturated carboxylic acid with a conjugated diene structure. In industry, it is mainly used as a chemical intermediate for organic synthesis. In perfumery and cosmetics, it can be converted to esters and other aroma compounds, serving as a fragrance intermediate or fixative. In polymer and coatings manufacturing, it can act as a monomer or co-monomer for unsaturated polyesters used in resins, coatings, and related formulations. It is also considered a precursor for specialty chemicals in plastics and adhesives and may participate in reactions such as Diels–Alder or crosslinking to impart functionality to coatings and plastics. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 946.65
    methanol 1015.62
    isopropanol 573.3
    water 0.12
    ethyl acetate 302.1
    n-propanol 676.03
    acetone 685.43
    n-butanol 539.48
    acetonitrile 164.44
    DMF 1802.68
    toluene 108.01
    isobutanol 421.41
    1,4-dioxane 366.81
    methyl acetate 246.83
    THF 1049.73
    2-butanone 521.77
    n-pentanol 408.09
    sec-butanol 485.68
    n-hexane 33.34
    ethylene glycol 147.14
    NMP 1022.55
    cyclohexane 16.74
    DMSO 1473.47
    n-butyl acetate 334.64
    n-octanol 125.7
    chloroform 251.96
    n-propyl acetate 216.5
    acetic acid 232.37
    dichloromethane 314.37
    cyclohexanone 630.8
    propylene glycol 272.34
    isopropyl acetate 219.8
    DMAc 845.58
    2-ethoxyethanol 375.84
    isopentanol 418.56
    n-heptane 11.6
    ethyl formate 161.13
    1,2-dichloroethane 303.1
    n-hexanol 438.32
    2-methoxyethanol 690.81
    isobutyl acetate 156.17
    tetrachloromethane 43.21
    n-pentyl acetate 153.19
    transcutol 972.78
    n-heptanol 144.57
    ethylbenzene 75.55
    MIBK 295.1
    2-propoxyethanol 513.38
    tert-butanol 624.48
    MTBE 435.15
    2-butoxyethanol 247.18
    propionic acid 270.06
    o-xylene 87.18
    formic acid 85.63
    diethyl ether 272.75
    m-xylene 123.74
    p-xylene 80.56
    chlorobenzene 128.66
    dimethyl carbonate 98.8
    n-octane 5.7
    formamide 161.11
    cyclopentanone 927.16
    2-pentanone 519.18
    anisole 177.35
    cyclopentyl methyl ether 477.24
    gamma-butyrolactone 704.68
    1-methoxy-2-propanol 624.4
    pyridine 298.56
    3-pentanone 262.08
    furfural 373.63
    n-dodecane 5.28
    diethylene glycol 329.99
    diisopropyl ether 90.45
    tert-amyl alcohol 517.53
    acetylacetone 357.48
    n-hexadecane 6.16
    acetophenone 162.79
    methyl propionate 338.03
    isopentyl acetate 302.65
    trichloroethylene 482.83
    n-nonanol 103.5
    cyclohexanol 320.17
    benzyl alcohol 177.76
    2-ethylhexanol 196.39
    isooctanol 117.96
    dipropyl ether 136.12
    1,2-dichlorobenzene 116.11
    ethyl lactate 109.53
    propylene carbonate 288.86
    n-methylformamide 525.95
    2-pentanol 340.93
    n-pentane 19.06
    1-propoxy-2-propanol 378.08
    1-methoxy-2-propyl acetate 292.0
    2-(2-methoxypropoxy) propanol 211.43
    mesitylene 74.18
    ε-caprolactone 414.33
    p-cymene 53.27
    epichlorohydrin 718.06
    1,1,1-trichloroethane 206.7
    2-aminoethanol 375.54
    morpholine-4-carbaldehyde 565.09
    sulfolane 1090.37
    2,2,4-trimethylpentane 18.42
    2-methyltetrahydrofuran 751.2
    n-hexyl acetate 225.35
    isooctane 17.26
    2-(2-butoxyethoxy)ethanol 325.69
    sec-butyl acetate 152.04
    tert-butyl acetate 287.86
    decalin 21.2
    glycerin 265.8
    diglyme 482.46
    acrylic acid 174.64
    isopropyl myristate 75.17
    n-butyric acid 378.59
    acetyl acetate 113.59
    di(2-ethylhexyl) phthalate 83.8
    ethyl propionate 170.04
    nitromethane 361.1
    1,2-diethoxyethane 257.98
    benzonitrile 162.58
    trioctyl phosphate 68.91
    1-bromopropane 190.31
    gamma-valerolactone 769.99
    n-decanol 76.59
    triethyl phosphate 68.23
    4-methyl-2-pentanol 187.41
    propionitrile 211.41
    vinylene carbonate 200.07
    1,1,2-trichlorotrifluoroethane 399.07
    DMS 131.39
    cumene 62.15
    2-octanol 102.39
    2-hexanone 313.55
    octyl acetate 103.72
    limonene 88.46
    1,2-dimethoxyethane 486.12
    ethyl orthosilicate 69.4
    tributyl phosphate 81.44
    diacetone alcohol 419.31
    N,N-dimethylaniline 138.75
    acrylonitrile 230.08
    aniline 195.88
    1,3-propanediol 389.92
    bromobenzene 128.8
    dibromomethane 209.55
    1,1,2,2-tetrachloroethane 404.35
    2-methyl-cyclohexyl acetate 144.86
    tetrabutyl urea 115.7
    diisobutyl methanol 95.62
    2-phenylethanol 189.99
    styrene 87.37
    dioctyl adipate 117.09
    dimethyl sulfate 215.58
    ethyl butyrate 164.08
    methyl lactate 183.93
    butyl lactate 148.59
    diethyl carbonate 85.36
    propanediol butyl ether 284.91
    triethyl orthoformate 100.68
    p-tert-butyltoluene 56.32
    methyl 4-tert-butylbenzoate 157.88
    morpholine 685.68
    tert-butylamine 333.93
    n-dodecanol 55.56
    dimethoxymethane 543.97
    ethylene carbonate 166.96
    cyrene 205.83
    2-ethoxyethyl acetate 200.03
    2-ethylhexyl acetate 215.86
    1,2,4-trichlorobenzene 147.38
    4-methylpyridine 397.02
    dibutyl ether 107.39
    2,6-dimethyl-4-heptanol 95.62
    DEF 526.89
    dimethyl isosorbide 351.0
    tetrachloroethylene 219.3
    eugenol 175.85
    triacetin 151.42
    span 80 200.01
    1,4-butanediol 174.79
    1,1-dichloroethane 263.9
    2-methyl-1-pentanol 329.87
    methyl formate 244.02
    2-methyl-1-butanol 404.4
    n-decane 8.56
    butyronitrile 284.41
    3,7-dimethyl-1-octanol 129.69
    1-chlorooctane 55.42
    1-chlorotetradecane 20.92
    n-nonane 7.83
    undecane 6.64
    tert-butylcyclohexane 27.31
    cyclooctane 7.07
    cyclopentanol 419.1
    tetrahydropyran 527.17
    tert-amyl methyl ether 308.25
    2,5,8-trioxanonane 315.29
    1-hexene 177.74
    2-isopropoxyethanol 276.97
    2,2,2-trifluoroethanol 51.2
    methyl butyrate 258.7

    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