Ethyl 2,4-decadienoate, (2E,4Z)-

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  • Identifiers

    CAS number
    3025-30-7

    Molecular formula
    C12H20O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 85.36%
    Green 82.24%
    Fatty 80.41%
    Pear 71.41%
    Waxy 66.56%
    Melon 57.89%
    Tropical 52.01%
    Pineapple 43.76%
    Oily 42.05%
    Sweet 38.28%

     

    Flavor
    Green 67.05%
    Fruity 65.2%
    Waxy 53.85%
    Pear 52.57%
    Sweet 46.58%
    Fatty 44.28%
    Apple 43.85%
    Tropical 40.53%
    Melon 35.9%
    Oily 35.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.94 (neutral)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 70.00 to 72.00 °C. @ 0.05 mm Hg

    Flash point

    • 115.26 ˚C est.

    Solubility expt.

    • Soluble in fat; Insoluble in water
    • soluble (in ethanol)

  • Synonyms

    • 3025-30-7
    • ethyl (2E,4Z)-deca-2,4-dienoate
    • Ethyl 2-trans-4-cis-decadienoate
    • Ethyl (2E,4Z)-decadienoate
    • 2,4-Decadienoic acid, ethyl ester, (2E,4Z)-
    • Ethyl (E,Z)-2,4-decadienoate
    • Ethyl trans-2,cis-4-decadienoate
    • Ethyl (2E,4Z)-2,4-decadienoate
    • ethyl decadienoate
    • FEMA No. 3148
    • Pear ester
    • ethyl-2e,4z-decadienoate
    • Ethyl-2-trans-4-cis-decadienoate
    • E,Z-Ethyl 2,4-decadienoate
    • Ethyl 2Z,4E-decadienoic acid
    • 79P6KS9Y5Z
    • CHEBI:4896
    • DTXSID0041357
    • Ethyl 2,4-decadienoate, (E,Z)-
    • EINECS 221-178-8
    • (2E,4Z)-Ethyl deca-2,4-dienoate
    • ethyl 2E,4Z-decadienoate
    • Ethyl (E,Z)-decadienoate
    • Ethyl 2,4-decadienoate, (2E,4Z)-
    • BRN 1724176
    • 2,4-Decadienoic acid, ethyl ester, (E,Z)-
    • DTXCID8021357
    • WE(2:0/10:2(2E,4Z))
    • 4-02-00-01731 (Beilstein Handbook Reference)
    • ETHYL (2E,4Z)-DECA-2,4-DIENOATE [MI]
    • ETHYL TRANS-2,CIS-4-DECADIENOATE [FHFI]
    • Ethyl-deca-(2E,4Z)-dienoate
    • Ethyl 2,4 (E,Z)-decadienoate
    • UNII-79P6KS9Y5Z
    • Ethyl (2E,4E)-2,4-decadienoate
    • Ethyl (E)-2,(Z)-4-decadienoate
    • FEMA 3148
    • MFCD00082225
    • (2E,4Z)-2,4-Decadienoic acid ethyl ester
    • Ethyl(E,Z)-decadienoate
    • Ethly 2E,4Z-Decadienoate
    • SCHEMBL258128
    • CHEMBL2229606
    • ETHYL DECADIENOATE [INCI]
    • Ethyl 2-trans-4-cis-decandienoate
    • ethyl-2,4- trans, cisdecadienoate
    • (2E,4Z)-ethyl 2,4-decadienoate
    • (2E,4Z)-Ethyldeca-2,4-dienoate
    • Tox21_300673
    • LMFA07010480
    • AKOS027320442
    • FE32345
    • HY-W322222
    • Ethyl Ester(e,z)-2,4-decadienoic Acid
    • NCGC00248136-01
    • NCGC00254581-01
    • AS-65787
    • CAS-3025-30-7
    • Ethyl 2-trans-4-cis-decadienoate, >=80%
    • Ethyl ester(2E,4Z)-2,4-Decadienoic acid
    • CS-0362811
    • NS00012389
    • trans,cis-deca-2,4-dienoic acid ethyl ester
    • (2E,4Z)-deca-2,4-dienoic acid ethyl ester
    • C08486
    • G77894
    • Q5404449
    • Ethyl 2-trans-4-cis-decadienoate, natural, >=95%, FG
    • Ethyl 2-trans-4-cis-decadienoate, >=95%, stabilized, FG
    • Ethyl 2-trans-4-cis-decadienoate, technical, >=97.0% (sum of isomers, GC)
    • 221-178-8

  • Applications

    Ethyl 2-trans-4-cis-decadienoate (CAS 3025-30-7) is a natural flavor compound famed for its ripe-pear aroma; it is widely employed in the food and beverage industry to impart fresh, juicy notes to juices, soft drinks, canned fruits, confectionery and bakery products; in perfumery and cosmetics to add mellow fruity accords to eau de toilette, body mists, creams, lip balms and shampoos; in pharmaceutical aromatherapy formulas to promote relaxation and reduce stress; and as an analytical reference standard in fruit-flavor research, supporting the breeding of highly aromatic cultivars and the optimization of natural essential-oil extraction processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3642.03
    methanol 3820.01
    isopropanol 2394.92
    water 0.04
    ethyl acetate 3298.18
    n-propanol 2474.13
    acetone 5777.62
    n-butanol 2160.49
    acetonitrile 2838.78
    DMF 4666.03
    toluene 1443.58
    isobutanol 1660.04
    1,4-dioxane 3042.55
    methyl acetate 2223.18
    THF 5430.83
    2-butanone 3744.64
    n-pentanol 1568.63
    sec-butanol 2134.07
    n-hexane 488.62
    ethylene glycol 229.27
    NMP 3220.07
    cyclohexane 596.14
    DMSO 6462.19
    n-butyl acetate 2064.91
    n-octanol 391.55
    chloroform 4615.22
    n-propyl acetate 1801.35
    acetic acid 1763.08
    dichloromethane 5645.56
    cyclohexanone 4483.78
    propylene glycol 497.47
    isopropyl acetate 1758.1
    DMAc 2625.48
    2-ethoxyethanol 1602.83
    isopentanol 1755.82
    n-heptane 120.57
    ethyl formate 1109.06
    1,2-dichloroethane 4684.48
    n-hexanol 1345.94
    2-methoxyethanol 2910.52
    isobutyl acetate 930.67
    tetrachloromethane 548.2
    n-pentyl acetate 909.63
    transcutol 5563.94
    n-heptanol 366.53
    ethylbenzene 596.82
    MIBK 1435.65
    2-propoxyethanol 1787.33
    tert-butanol 2478.75
    MTBE 3076.21
    2-butoxyethanol 729.46
    propionic acid 1335.35
    o-xylene 559.94
    formic acid 313.53
    diethyl ether 4010.27
    m-xylene 771.06
    p-xylene 641.83
    chlorobenzene 1476.77
    dimethyl carbonate 584.36
    n-octane 42.27
    formamide 638.74
    cyclopentanone 4268.86
    2-pentanone 3458.32
    anisole 1101.13
    cyclopentyl methyl ether 3121.1
    gamma-butyrolactone 3525.43
    1-methoxy-2-propanol 2199.09
    pyridine 3409.0
    3-pentanone 2045.44
    furfural 2057.73
    n-dodecane 29.5
    diethylene glycol 962.17
    diisopropyl ether 757.5
    tert-amyl alcohol 2065.42
    acetylacetone 2526.49
    n-hexadecane 36.28
    acetophenone 946.42
    methyl propionate 2136.53
    isopentyl acetate 1603.23
    trichloroethylene 6431.01
    n-nonanol 336.82
    cyclohexanol 2115.06
    benzyl alcohol 862.04
    2-ethylhexanol 728.36
    isooctanol 320.41
    dipropyl ether 1096.64
    1,2-dichlorobenzene 1164.42
    ethyl lactate 460.96
    propylene carbonate 1491.17
    n-methylformamide 1726.61
    2-pentanol 1572.64
    n-pentane 305.77
    1-propoxy-2-propanol 1366.57
    1-methoxy-2-propyl acetate 1455.97
    2-(2-methoxypropoxy) propanol 806.19
    mesitylene 425.83
    ε-caprolactone 2713.15
    p-cymene 255.74
    epichlorohydrin 4515.02
    1,1,1-trichloroethane 3024.65
    2-aminoethanol 782.65
    morpholine-4-carbaldehyde 2212.76
    sulfolane 4293.66
    2,2,4-trimethylpentane 126.14
    2-methyltetrahydrofuran 4679.68
    n-hexyl acetate 1212.18
    isooctane 101.95
    2-(2-butoxyethoxy)ethanol 1168.56
    sec-butyl acetate 1108.71
    tert-butyl acetate 1688.42
    decalin 222.52
    glycerin 518.39
    diglyme 2094.95
    acrylic acid 883.32
    isopropyl myristate 384.66
    n-butyric acid 2332.08
    acetyl acetate 1208.39
    di(2-ethylhexyl) phthalate 326.69
    ethyl propionate 1425.28
    nitromethane 3215.79
    1,2-diethoxyethane 2119.97
    benzonitrile 1134.5
    trioctyl phosphate 227.13
    1-bromopropane 3304.28
    gamma-valerolactone 3625.94
    n-decanol 234.29
    triethyl phosphate 375.27
    4-methyl-2-pentanol 654.43
    propionitrile 1904.43
    vinylene carbonate 1162.92
    1,1,2-trichlorotrifluoroethane 2297.14
    DMS 843.02
    cumene 326.68
    2-octanol 289.18
    2-hexanone 2045.49
    octyl acetate 477.89
    limonene 510.47
    1,2-dimethoxyethane 2797.47
    ethyl orthosilicate 382.67
    tributyl phosphate 351.97
    diacetone alcohol 1512.16
    N,N-dimethylaniline 654.63
    acrylonitrile 2040.58
    aniline 1596.72
    1,3-propanediol 1172.66
    bromobenzene 1784.5
    dibromomethane 4125.0
    1,1,2,2-tetrachloroethane 5001.93
    2-methyl-cyclohexyl acetate 749.61
    tetrabutyl urea 478.46
    diisobutyl methanol 353.62
    2-phenylethanol 793.0
    styrene 926.15
    dioctyl adipate 579.38
    dimethyl sulfate 947.8
    ethyl butyrate 1116.81
    methyl lactate 642.51
    butyl lactate 600.51
    diethyl carbonate 605.82
    propanediol butyl ether 737.0
    triethyl orthoformate 620.06
    p-tert-butyltoluene 250.95
    methyl 4-tert-butylbenzoate 590.72
    morpholine 4825.33
    tert-butylamine 1625.35
    n-dodecanol 174.76
    dimethoxymethane 2583.87
    ethylene carbonate 1018.35
    cyrene 658.62
    2-ethoxyethyl acetate 1224.78
    2-ethylhexyl acetate 1202.68
    1,2,4-trichlorobenzene 1361.95
    4-methylpyridine 3364.87
    dibutyl ether 969.61
    2,6-dimethyl-4-heptanol 353.62
    DEF 3161.84
    dimethyl isosorbide 1317.22
    tetrachloroethylene 2708.95
    eugenol 612.53
    triacetin 897.81
    span 80 728.44
    1,4-butanediol 432.18
    1,1-dichloroethane 4117.02
    2-methyl-1-pentanol 1343.97
    methyl formate 925.11
    2-methyl-1-butanol 1714.34
    n-decane 55.77
    butyronitrile 2364.05
    3,7-dimethyl-1-octanol 474.57
    1-chlorooctane 357.91
    1-chlorotetradecane 120.77
    n-nonane 58.11
    undecane 38.57
    tert-butylcyclohexane 188.09
    cyclooctane 129.23
    cyclopentanol 1854.59
    tetrahydropyran 5366.73
    tert-amyl methyl ether 1867.17
    2,5,8-trioxanonane 1313.32
    1-hexene 1863.07
    2-isopropoxyethanol 1137.91
    2,2,2-trifluoroethanol 305.03
    methyl butyrate 1985.63

    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