Ethyl (2E,4Z)-undeca-2,4-dienoate

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  • Identifiers

    CAS number
    39924-40-8

    Molecular formula
    C13H22O2

    SMILES
    CCCCCC/C=C\C=C\C(=O)OCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 83.31%
    Fruity 82.44%
    Green 78.95%
    Pear 69.6%
    Waxy 66.55%
    Melon 56.0%
    Oily 46.1%
    Tropical 45.81%
    Pineapple 39.0%
    Dairy 35.09%

     

    Flavor
    Fruity 65.7%
    Green 62.58%
    Waxy 55.69%
    Pear 51.67%
    Sweet 45.77%
    Fatty 41.71%
    Apple 40.83%
    Tropical 39.4%
    Oily 36.05%
    Melon 34.79%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.9 (neutral)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 124.47 ˚C est.

  • Synonyms

    • Ethyl (2E,4Z)-undeca-2,4-dienoate
    • EINECS 254-703-4
    • 39924-40-8
    • SCHEMBL11792110
    • GKZHQLHOAZNYIW-XAZJVICWSA-N
    • DTXSID601301186
    • Ethyl (2E,4Z)-2,4-undecadienoate
    • NS00057757
    • 39924-40-8

  • Applications

    Ethyl (2E,4Z)-undeca-2,4-dienoate (CAS number: 39924-40-8) is used primarily as a fragrance ingredient in perfumery and cosmetics/personal care, and as an intermediate in the synthesis of other fragrance compounds. It may also appear in household products with aromas, such as cleaners or air fresheners. Additionally, the ester can serve as a precursor or intermediate in industrial manufacturing, including the production of specialty polymers and coating or ink formulations. Use is subject to local regulations and formulation limits, and its applications are typically considered within specialized formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3186.74
    methanol 3221.73
    isopropanol 2270.09
    water 0.02
    ethyl acetate 3166.75
    n-propanol 2306.06
    acetone 5362.04
    n-butanol 2010.52
    acetonitrile 2456.51
    DMF 3878.9
    toluene 1348.24
    isobutanol 1578.93
    1,4-dioxane 2908.11
    methyl acetate 2045.66
    THF 5346.13
    2-butanone 3582.02
    n-pentanol 1513.12
    sec-butanol 2082.37
    n-hexane 500.63
    ethylene glycol 165.65
    NMP 2808.93
    cyclohexane 659.7
    DMSO 5619.08
    n-butyl acetate 2013.49
    n-octanol 375.71
    chloroform 4365.18
    n-propyl acetate 1846.78
    acetic acid 1406.36
    dichloromethane 5417.3
    cyclohexanone 4431.16
    propylene glycol 398.98
    isopropyl acetate 1760.0
    DMAc 2370.93
    2-ethoxyethanol 1550.79
    isopentanol 1662.75
    n-heptane 127.48
    ethyl formate 1017.92
    1,2-dichloroethane 4557.75
    n-hexanol 1258.91
    2-methoxyethanol 2631.82
    isobutyl acetate 963.77
    tetrachloromethane 558.81
    n-pentyl acetate 941.0
    transcutol 5165.36
    n-heptanol 357.6
    ethylbenzene 575.41
    MIBK 1487.01
    2-propoxyethanol 1687.69
    tert-butanol 2354.95
    MTBE 3118.63
    2-butoxyethanol 720.98
    propionic acid 1127.85
    o-xylene 543.49
    formic acid 231.84
    diethyl ether 4079.34
    m-xylene 722.34
    p-xylene 625.79
    chlorobenzene 1389.42
    dimethyl carbonate 511.58
    n-octane 44.04
    formamide 483.44
    cyclopentanone 4039.38
    2-pentanone 3430.48
    anisole 1024.4
    cyclopentyl methyl ether 3134.37
    gamma-butyrolactone 3253.74
    1-methoxy-2-propanol 2027.56
    pyridine 3128.31
    3-pentanone 2008.57
    furfural 1858.65
    n-dodecane 29.05
    diethylene glycol 841.66
    diisopropyl ether 782.36
    tert-amyl alcohol 2004.04
    acetylacetone 2346.61
    n-hexadecane 36.05
    acetophenone 906.82
    methyl propionate 2002.21
    isopentyl acetate 1589.63
    trichloroethylene 5946.36
    n-nonanol 324.68
    cyclohexanol 2050.58
    benzyl alcohol 790.14
    2-ethylhexanol 714.33
    isooctanol 321.86
    dipropyl ether 1170.78
    1,2-dichlorobenzene 1119.2
    ethyl lactate 449.73
    propylene carbonate 1361.4
    n-methylformamide 1412.47
    2-pentanol 1511.58
    n-pentane 305.91
    1-propoxy-2-propanol 1320.22
    1-methoxy-2-propyl acetate 1412.97
    2-(2-methoxypropoxy) propanol 760.6
    mesitylene 423.75
    ε-caprolactone 2624.28
    p-cymene 255.1
    epichlorohydrin 4285.98
    1,1,1-trichloroethane 3004.7
    2-aminoethanol 646.79
    morpholine-4-carbaldehyde 1998.57
    sulfolane 3937.26
    2,2,4-trimethylpentane 126.24
    2-methyltetrahydrofuran 4674.19
    n-hexyl acetate 1201.27
    isooctane 100.7
    2-(2-butoxyethoxy)ethanol 1091.14
    sec-butyl acetate 1164.86
    tert-butyl acetate 1696.73
    decalin 225.63
    glycerin 414.96
    diglyme 2008.13
    acrylic acid 703.86
    isopropyl myristate 381.07
    n-butyric acid 2126.6
    acetyl acetate 1125.34
    di(2-ethylhexyl) phthalate 312.33
    ethyl propionate 1441.08
    nitromethane 2672.05
    1,2-diethoxyethane 2110.39
    benzonitrile 1053.86
    trioctyl phosphate 219.45
    1-bromopropane 3329.03
    gamma-valerolactone 3437.63
    n-decanol 222.71
    triethyl phosphate 375.44
    4-methyl-2-pentanol 648.54
    propionitrile 1762.1
    vinylene carbonate 1046.59
    1,1,2-trichlorotrifluoroethane 2063.53
    DMS 797.42
    cumene 321.25
    2-octanol 285.74
    2-hexanone 2087.14
    octyl acetate 466.46
    limonene 513.02
    1,2-dimethoxyethane 2726.66
    ethyl orthosilicate 384.96
    tributyl phosphate 335.8
    diacetone alcohol 1443.74
    N,N-dimethylaniline 617.64
    acrylonitrile 1755.79
    aniline 1431.13
    1,3-propanediol 995.5
    bromobenzene 1682.36
    dibromomethane 3993.9
    1,1,2,2-tetrachloroethane 4740.88
    2-methyl-cyclohexyl acetate 758.41
    tetrabutyl urea 452.82
    diisobutyl methanol 353.1
    2-phenylethanol 733.21
    styrene 884.7
    dioctyl adipate 567.12
    dimethyl sulfate 818.82
    ethyl butyrate 1138.17
    methyl lactate 566.6
    butyl lactate 597.73
    diethyl carbonate 608.58
    propanediol butyl ether 676.3
    triethyl orthoformate 635.95
    p-tert-butyltoluene 247.17
    methyl 4-tert-butylbenzoate 579.48
    morpholine 4576.87
    tert-butylamine 1577.36
    n-dodecanol 164.65
    dimethoxymethane 2372.16
    ethylene carbonate 946.07
    cyrene 627.23
    2-ethoxyethyl acetate 1215.19
    2-ethylhexyl acetate 1208.33
    1,2,4-trichlorobenzene 1295.0
    4-methylpyridine 3089.73
    dibutyl ether 1013.96
    2,6-dimethyl-4-heptanol 353.1
    DEF 2985.02
    dimethyl isosorbide 1280.48
    tetrachloroethylene 2622.51
    eugenol 578.79
    triacetin 868.46
    span 80 697.74
    1,4-butanediol 373.74
    1,1-dichloroethane 4045.71
    2-methyl-1-pentanol 1299.39
    methyl formate 745.9
    2-methyl-1-butanol 1643.89
    n-decane 57.05
    butyronitrile 2217.02
    3,7-dimethyl-1-octanol 454.02
    1-chlorooctane 363.81
    1-chlorotetradecane 117.26
    n-nonane 59.66
    undecane 38.53
    tert-butylcyclohexane 188.84
    cyclooctane 140.73
    cyclopentanol 1780.51
    tetrahydropyran 5415.52
    tert-amyl methyl ether 1917.84
    2,5,8-trioxanonane 1239.14
    1-hexene 1895.01
    2-isopropoxyethanol 1125.5
    2,2,2-trifluoroethanol 243.63
    methyl butyrate 1998.02

    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