Methyl 2,4-decadienoate, (2E,4E)-

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  • Identifiers

    CAS number
    4493-42-9

    Molecular formula
    C11H18O2

    SMILES
    CCCCC/C=C/C=C/C(=O)OC

    Retention indicies (RI)

    • Carbowax: 1806.0

  • Odor profile

    Fruity 87.47%
    Fatty 84.71%
    Green 84.26%
    Waxy 68.64%
    Pear 68.61%
    Melon 62.69%
    Tropical 46.52%
    Sweet 44.11%
    Oily 43.26%
    Fresh 41.69%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point est.
    104.53 ˚C

    Solubility expt.

    • not soluble in water
    • soluble (in ethanol)

  • Synonyms

    • 7328-33-8
    • 2,4-Decadienoic acid methyl ester
    • 2,4-Decadienoic acid, methyl ester, (2E,4E)-
    • 4493-42-9
    • Methyl (2E,4E)-2,4-decadienoate
    • methyl (2E,4E)-deca-2,4-dienoate
    • Methyl 2,4-decadienoate, (2E,4E)-
    • formyl 2E,4E-decadienoate
    • (2E,4E)-2,4-Decadienoic acid methyl ester
    • 2,4-Decadienoic acid, methyl ester, (E,E)-
    • OX7820P9JJ
    • EINECS 230-815-9
    • Methyl E, 4-2,4-Decadienoate
    • DTXSID30884370
    • 2,4-Decadienoic acid,methyl ester, (2E,4E)-
    • 2,4-Decadienoic acid,methyl ester, (2E,4Z)-
    • WE(1:0/10:2(2E,4E))
    • UNII-OX7820P9JJ
    • methyl decadienoate
    • Methyl 2E,4E-decadienoate
    • SCHEMBL1532447
    • DTXCID30909299
    • CHEBI:195888
    • (2E,4E)-methyl 2,4-decadienoate
    • LMFA07010478
    • Methyl 2,4-Decadienoate CAS 4493-42-9
    • NS00043963
    • Q27285901
    • 230-815-9

  • Applications

    Methyl 2,4-decadienoate (2E,4E) is an unsaturated ester with fruity pear–apple, green, slightly fatty facets, used to build and fine-tune crisp top notes in flavor formulations (beverages, confectionery, baked goods) and in perfumery/home care; as an analytical reference (GC/GC‑MS) and sensory standard in aroma research; to study plant volatile emissions and dienoate oxidation/isomerization; as a model odorant in chemical ecology and olfactory neuroscience; as a synthetic intermediate/building block for 2,4-decadienoic derivatives in flavor–fragrance and pheromone/kairomone research; and to evaluate encapsulation and controlled-release technologies; with compliance to applicable safety guidelines (e.g., IFRA, FEMA/GRAS), noting that purity and stereochemistry strongly affect odor/performance, and recommending cool, oxygen/light-limited storage to minimize oxidation and polymerization.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2954.99
    methanol 3132.27
    isopropanol 1795.56
    water 0.04
    ethyl acetate 2922.86
    n-propanol 1979.18
    acetone 3717.35
    n-butanol 1553.87
    acetonitrile 2010.79
    DMF 3010.54
    toluene 985.64
    isobutanol 1169.27
    1,4-dioxane 2419.08
    methyl acetate 1793.43
    THF 3572.47
    2-butanone 2842.38
    n-pentanol 1181.26
    sec-butanol 1607.87
    n-hexane 197.5
    ethylene glycol 198.44
    NMP 1867.81
    cyclohexane 225.49
    DMSO 4447.06
    n-butyl acetate 1402.05
    n-octanol 220.04
    chloroform 3232.67
    n-propyl acetate 1376.69
    acetic acid 1220.59
    dichloromethane 4048.06
    cyclohexanone 2665.22
    propylene glycol 471.8
    isopropyl acetate 1399.43
    DMAc 1723.93
    2-ethoxyethanol 1561.95
    isopentanol 1238.69
    n-heptane 47.53
    ethyl formate 836.33
    1,2-dichloroethane 3347.76
    n-hexanol 898.78
    2-methoxyethanol 2682.08
    isobutyl acetate 682.56
    tetrachloromethane 360.71
    n-pentyl acetate 544.01
    transcutol 4920.84
    n-heptanol 243.04
    ethylbenzene 373.23
    MIBK 1030.9
    2-propoxyethanol 1402.9
    tert-butanol 2036.42
    MTBE 2426.76
    2-butoxyethanol 570.85
    propionic acid 951.74
    o-xylene 397.29
    formic acid 278.01
    diethyl ether 2977.92
    m-xylene 536.96
    p-xylene 398.21
    chlorobenzene 957.67
    dimethyl carbonate 433.03
    n-octane 17.53
    formamide 596.1
    cyclopentanone 2823.71
    2-pentanone 2412.32
    anisole 843.74
    cyclopentyl methyl ether 2107.06
    gamma-butyrolactone 2428.84
    1-methoxy-2-propanol 1949.37
    pyridine 2423.84
    3-pentanone 1453.34
    furfural 1527.02
    n-dodecane 12.61
    diethylene glycol 820.75
    diisopropyl ether 525.36
    tert-amyl alcohol 1710.68
    acetylacetone 1865.82
    n-hexadecane 15.34
    acetophenone 669.81
    methyl propionate 1770.67
    isopentyl acetate 1124.19
    trichloroethylene 4836.39
    n-nonanol 193.13
    cyclohexanol 1258.74
    benzyl alcohol 662.22
    2-ethylhexanol 456.55
    isooctanol 209.53
    dipropyl ether 652.09
    1,2-dichlorobenzene 751.63
    ethyl lactate 346.96
    propylene carbonate 969.06
    n-methylformamide 1309.91
    2-pentanol 1122.7
    n-pentane 129.87
    1-propoxy-2-propanol 983.48
    1-methoxy-2-propyl acetate 1176.1
    2-(2-methoxypropoxy) propanol 600.24
    mesitylene 275.09
    ε-caprolactone 1811.02
    p-cymene 157.77
    epichlorohydrin 3601.17
    1,1,1-trichloroethane 2005.18
    2-aminoethanol 696.73
    morpholine-4-carbaldehyde 1619.18
    sulfolane 2654.55
    2,2,4-trimethylpentane 70.62
    2-methyltetrahydrofuran 3372.99
    n-hexyl acetate 695.47
    isooctane 56.71
    2-(2-butoxyethoxy)ethanol 910.58
    sec-butyl acetate 883.42
    tert-butyl acetate 1328.81
    decalin 108.42
    glycerin 472.05
    diglyme 1671.04
    acrylic acid 612.59
    isopropyl myristate 219.8
    n-butyric acid 1564.04
    acetyl acetate 925.87
    di(2-ethylhexyl) phthalate 199.82
    ethyl propionate 1090.52
    nitromethane 2299.03
    1,2-diethoxyethane 1659.71
    benzonitrile 772.84
    trioctyl phosphate 132.58
    1-bromopropane 2089.13
    gamma-valerolactone 2567.77
    n-decanol 135.06
    triethyl phosphate 246.11
    4-methyl-2-pentanol 473.36
    propionitrile 1427.28
    vinylene carbonate 781.75
    1,1,2-trichlorotrifluoroethane 1845.89
    DMS 575.1
    cumene 213.15
    2-octanol 170.41
    2-hexanone 1404.17
    octyl acetate 271.57
    limonene 294.46
    1,2-dimethoxyethane 2192.08
    ethyl orthosilicate 257.55
    tributyl phosphate 207.35
    diacetone alcohol 1250.86
    N,N-dimethylaniline 454.97
    acrylonitrile 1563.28
    aniline 1174.38
    1,3-propanediol 1011.4
    bromobenzene 1116.8
    dibromomethane 2793.82
    1,1,2,2-tetrachloroethane 3572.81
    2-methyl-cyclohexyl acetate 485.84
    tetrabutyl urea 264.44
    diisobutyl methanol 234.75
    2-phenylethanol 580.64
    styrene 583.97
    dioctyl adipate 350.68
    dimethyl sulfate 669.33
    ethyl butyrate 767.02
    methyl lactate 512.75
    butyl lactate 396.76
    diethyl carbonate 429.43
    propanediol butyl ether 549.02
    triethyl orthoformate 422.7
    p-tert-butyltoluene 157.68
    methyl 4-tert-butylbenzoate 395.51
    morpholine 4015.71
    tert-butylamine 1235.28
    n-dodecanol 97.5
    dimethoxymethane 2004.97
    ethylene carbonate 672.57
    cyrene 493.97
    2-ethoxyethyl acetate 891.38
    2-ethylhexyl acetate 812.18
    1,2,4-trichlorobenzene 899.03
    4-methylpyridine 2338.73
    dibutyl ether 514.34
    2,6-dimethyl-4-heptanol 234.75
    DEF 2344.07
    dimethyl isosorbide 962.6
    tetrachloroethylene 1922.7
    eugenol 432.62
    triacetin 584.64
    span 80 497.67
    1,4-butanediol 359.14
    1,1-dichloroethane 2846.78
    2-methyl-1-pentanol 1013.49
    methyl formate 698.39
    2-methyl-1-butanol 1195.43
    n-decane 23.23
    butyronitrile 1569.79
    3,7-dimethyl-1-octanol 292.63
    1-chlorooctane 177.31
    1-chlorotetradecane 58.13
    n-nonane 23.67
    undecane 16.52
    tert-butylcyclohexane 99.29
    cyclooctane 52.98
    cyclopentanol 1122.59
    tetrahydropyran 3523.44
    tert-amyl methyl ether 1475.64
    2,5,8-trioxanonane 1000.96
    1-hexene 970.31
    2-isopropoxyethanol 1041.25
    2,2,2-trifluoroethanol 210.12
    methyl butyrate 1462.95

    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

Botanical

Name CAS Botanical Proportion
Hop (Neomexicanus cultivar) (USA) 8007-04-3 Humulus lupulus L., var. neomeaxicanus Nels. & Cockerell, fam. Cannabaceae 0.22%