2,4-Octadienoic acid, ethyl ester, (E,Z)-

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  • Identifiers

    CAS number
    39924-38-4

    Molecular formula
    C10H16O2

    SMILES
    CCCC=CC=CC(=O)OCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 90.4%
    Green 87.0%
    Pear 68.87%
    Fatty 64.98%
    Tropical 62.28%
    Waxy 57.67%
    Melon 54.65%
    Pineapple 52.52%
    Apple 47.52%
    Sweet 46.69%

     

    Flavor
    Green 70.89%
    Fruity 60.17%
    Fatty 46.68%
    Pear 46.16%
    Sweet 43.63%
    Apple 43.16%
    Waxy 39.57%
    Tropical 36.71%
    Vegetable 32.5%
    Melon 31.84%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.0 (neutral)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    213°C

    Flash point

    • 90.74 ˚C est.

  • Synonyms

    • 39924-38-4
    • 2,4-Octadienoic acid, ethyl ester, (E,Z)-
    • ethyl octadienoate
    • SCHEMBL11795360
    • 39924-38-4

  • Applications

    2,4-Octadienoic acid, ethyl ester, (E,Z)- (CAS 39924-38-4) is primarily used as a synthetic building block in organic synthesis. In industry it is commonly evaluated as an intermediate for fragrance and flavor chemistry, serving as a precursor to more complex aroma compounds. It may be used as a starting material for specialty esters employed in cosmetics and personal-care formulations. It can function as a processing solvent or reactive diluent in coatings, inks, and adhesives, and as a monomer or crosslinkable component in unsaturated polyester resins for coatings and composites. It also appears as an intermediate in the production of polymers and specialty plasticizers. Additionally, it may be used in cleaning formulations as a solvent or fragrance carrier, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2688.13
    methanol 3024.79
    isopropanol 1639.28
    water 0.12
    ethyl acetate 2383.33
    n-propanol 1717.83
    acetone 4914.38
    n-butanol 1597.4
    acetonitrile 2484.17
    DMF 5705.68
    toluene 1069.81
    isobutanol 1198.64
    1,4-dioxane 2330.14
    methyl acetate 1923.18
    THF 4152.62
    2-butanone 2914.05
    n-pentanol 1098.82
    sec-butanol 1457.61
    n-hexane 371.11
    ethylene glycol 321.28
    NMP 4082.53
    cyclohexane 371.34
    DMSO 6972.09
    n-butyl acetate 1677.53
    n-octanol 384.44
    chloroform 3845.68
    n-propyl acetate 1290.35
    acetic acid 2204.42
    dichloromethane 4650.33
    cyclohexanone 3550.26
    propylene glycol 524.38
    isopropyl acetate 1245.39
    DMAc 2905.54
    2-ethoxyethanol 1221.61
    isopentanol 1279.26
    n-heptane 96.46
    ethyl formate 1015.09
    1,2-dichloroethane 3683.9
    n-hexanol 1097.21
    2-methoxyethanol 2431.72
    isobutyl acetate 682.54
    tetrachloromethane 436.38
    n-pentyl acetate 743.77
    transcutol 5052.75
    n-heptanol 305.25
    ethylbenzene 482.77
    MIBK 1065.9
    2-propoxyethanol 1495.12
    tert-butanol 1926.64
    MTBE 1966.84
    2-butoxyethanol 613.42
    propionic acid 1369.44
    o-xylene 474.92
    formic acid 464.98
    diethyl ether 2415.43
    m-xylene 639.22
    p-xylene 551.58
    chlorobenzene 1344.6
    dimethyl carbonate 646.73
    n-octane 38.81
    formamide 877.41
    cyclopentanone 3895.04
    2-pentanone 2540.76
    anisole 1004.76
    cyclopentyl methyl ether 2292.48
    gamma-butyrolactone 3555.22
    1-methoxy-2-propanol 1866.43
    pyridine 2781.64
    3-pentanone 1588.41
    furfural 2237.46
    n-dodecane 31.48
    diethylene glycol 940.56
    diisopropyl ether 520.94
    tert-amyl alcohol 1530.83
    acetylacetone 2274.44
    n-hexadecane 38.0
    acetophenone 892.32
    methyl propionate 1805.79
    isopentyl acetate 1288.7
    trichloroethylene 5846.75
    n-nonanol 326.0
    cyclohexanol 1505.17
    benzyl alcohol 768.04
    2-ethylhexanol 579.43
    isooctanol 268.54
    dipropyl ether 740.77
    1,2-dichlorobenzene 1128.79
    ethyl lactate 420.83
    propylene carbonate 1552.97
    n-methylformamide 1934.54
    2-pentanol 1131.51
    n-pentane 226.44
    1-propoxy-2-propanol 1129.91
    1-methoxy-2-propyl acetate 1193.25
    2-(2-methoxypropoxy) propanol 783.99
    mesitylene 363.7
    ε-caprolactone 2284.97
    p-cymene 233.23
    epichlorohydrin 3948.44
    1,1,1-trichloroethane 2490.07
    2-aminoethanol 754.07
    morpholine-4-carbaldehyde 2381.52
    sulfolane 4782.21
    2,2,4-trimethylpentane 106.37
    2-methyltetrahydrofuran 3433.57
    n-hexyl acetate 1108.19
    isooctane 88.61
    2-(2-butoxyethoxy)ethanol 1122.73
    sec-butyl acetate 795.28
    tert-butyl acetate 1376.58
    decalin 178.32
    glycerin 631.24
    diglyme 1906.03
    acrylic acid 1133.46
    isopropyl myristate 361.17
    n-butyric acid 2037.17
    acetyl acetate 1076.77
    di(2-ethylhexyl) phthalate 336.36
    ethyl propionate 1072.87
    nitromethane 3688.95
    1,2-diethoxyethane 1650.53
    benzonitrile 1082.84
    trioctyl phosphate 231.15
    1-bromopropane 2274.1
    gamma-valerolactone 3323.61
    n-decanol 235.44
    triethyl phosphate 344.61
    4-methyl-2-pentanol 494.05
    propionitrile 1543.58
    vinylene carbonate 1288.19
    1,1,2-trichlorotrifluoroethane 2253.97
    DMS 855.09
    cumene 282.84
    2-octanol 254.9
    2-hexanone 1463.0
    octyl acetate 467.52
    limonene 421.14
    1,2-dimethoxyethane 2187.55
    ethyl orthosilicate 333.73
    tributyl phosphate 365.79
    diacetone alcohol 1345.7
    N,N-dimethylaniline 628.7
    acrylonitrile 1943.97
    aniline 1354.2
    1,3-propanediol 1069.48
    bromobenzene 1602.84
    dibromomethane 3313.7
    1,1,2,2-tetrachloroethane 4536.73
    2-methyl-cyclohexyl acetate 623.52
    tetrabutyl urea 494.53
    diisobutyl methanol 293.14
    2-phenylethanol 698.53
    styrene 757.18
    dioctyl adipate 555.97
    dimethyl sulfate 1193.69
    ethyl butyrate 846.4
    methyl lactate 674.5
    butyl lactate 570.71
    diethyl carbonate 526.97
    propanediol butyl ether 767.12
    triethyl orthoformate 496.15
    p-tert-butyltoluene 228.32
    methyl 4-tert-butylbenzoate 577.5
    morpholine 3535.62
    tert-butylamine 1212.29
    n-dodecanol 177.47
    dimethoxymethane 2242.77
    ethylene carbonate 1048.23
    cyrene 662.84
    2-ethoxyethyl acetate 1030.02
    2-ethylhexyl acetate 956.33
    1,2,4-trichlorobenzene 1314.32
    4-methylpyridine 2798.91
    dibutyl ether 764.99
    2,6-dimethyl-4-heptanol 293.14
    DEF 2786.4
    dimethyl isosorbide 1243.36
    tetrachloroethylene 2304.18
    eugenol 619.44
    triacetin 864.66
    span 80 707.1
    1,4-butanediol 415.26
    1,1-dichloroethane 3275.19
    2-methyl-1-pentanol 968.56
    methyl formate 1187.99
    2-methyl-1-butanol 1230.58
    n-decane 53.4
    butyronitrile 1888.35
    3,7-dimethyl-1-octanol 452.1
    1-chlorooctane 322.3
    1-chlorotetradecane 119.86
    n-nonane 56.23
    undecane 39.82
    tert-butylcyclohexane 161.49
    cyclooctane 94.26
    cyclopentanol 1522.87
    tetrahydropyran 3499.62
    tert-amyl methyl ether 1265.15
    2,5,8-trioxanonane 1278.16
    1-hexene 1234.01
    2-isopropoxyethanol 858.16
    2,2,2-trifluoroethanol 454.48
    methyl butyrate 1560.17

    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