ethyl (E)-2-methylpent-3-enoate

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  • Identifiers

    CAS number
    1617-23-8

    Molecular formula
    C8H14O2

    SMILES
    CCOC(=O)C(C)/C=C/C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 96.13%
    Green 85.47%
    Tropical 72.73%
    Sweet 70.45%
    Apple 67.75%
    Pineapple 65.76%
    Pear 49.06%
    Fresh 46.52%
    Berry 46.41%
    Banana 46.36%

     

    Flavor
    Fruity 80.2%
    Tropical 45.69%
    Sweet 41.19%
    Green 37.29%
    Berry 37.1%
    Apple 36.07%
    Floral 33.84%
    Pineapple 31.69%
    Pear 25.52%
    Fresh 23.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.09 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    157°C

    Flash point

    • 47.26 ˚C est.

    Solubility expt.

    • insoluble in water

  • Synonyms

    • ethyl (E)-2-methylpent-3-enoate
    • 1617-23-8
    • Ethyl 2-methyl-3-pentenoate
    • FEMA No. 3456
    • UNII-9RI9XUV30G
    • Ethyl 2-methylpent-3-en-1-oate
    • FEMA No. 3456, E-
    • EINECS 216-572-1
    • Ethyl 2-methyl-3-pentenoate, (3E)-
    • 9RI9XUV30G
    • 37FR080RET
    • 3-Pentenoic acid, 2-methyl-, ethyl ester, (E)-
    • Ethyl 2-methylpent-3-enoate
    • (3E)-ethyl 2-methyl-3-pentenoate
    • 3-Pentenoic acid, 2-methyl-, ethyl ester, (3E)-
    • 16489-03-5
    • 3-Pentenoic acid, 2-methyl-, ethyl ester
    • (+/-)-3-pentenoic acid, 2-methyl-, ethyl ester, (3E)-
    • 2-Methyl-3-pentenoic acid ethyl ester
    • UNII-37FR080RET
    • SCHEMBL1929622
    • HOWBPXBYCPKWBL-GQCTYLIASA-
    • CHEBI:180294
    • CHEBI:189083
    • HOWBPXBYCPKWBL-GQCTYLIASA-N
    • (E)-ethyl 2-methyl-3-pentenoate
    • ethyl (3E)-2-methylpent-3-enoate
    • AKOS006271620
    • (E)-2-methyl-3-pentenoic acid ethyl ester
    • (3E)-2-methyl-3-pentenoic acid ethyl ester
    • (E)-2-methyl-pent-3-enoic acid ethyl ester
    • Q27256677
    • InChI=1/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,6-7H,5H2,1-3H3/b6-4+
    • Fruitaleur

  • Applications

    Ethyl (E)-2-methylpent-3-enoate (CAS 1617-23-8) is primarily used as an intermediate and reactive building block in organic synthesis. In real-world applications, it is commonly evaluated for fragrance applications as a precursor to aroma compounds in perfumery, and as a flavor intermediate in flavor formulation. It also serves as a feedstock in cosmetics/personal care for the synthesis of specialty esters. Its alkenyl ester functionality enables use as a monomer or reactive intermediate in polymers and plastics, including coatings, inks, and adhesives. Additionally, it may be employed as a starting material for pharmaceutical or agrochemical syntheses under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1985.39
    methanol 2589.74
    isopropanol 1775.58
    water 5.33
    ethyl acetate 1083.09
    n-propanol 1656.49
    acetone 1489.21
    n-butanol 1660.46
    acetonitrile 1741.43
    DMF 1771.76
    toluene 817.6
    isobutanol 1434.39
    1,4-dioxane 2152.31
    methyl acetate 1138.5
    THF 1954.45
    2-butanone 1342.33
    n-pentanol 1421.34
    sec-butanol 1771.95
    n-hexane 600.73
    ethylene glycol 363.52
    NMP 1637.54
    cyclohexane 701.48
    DMSO 1348.76
    n-butyl acetate 1133.36
    n-octanol 825.17
    chloroform 4690.64
    n-propyl acetate 855.39
    acetic acid 1725.8
    dichloromethane 3886.31
    cyclohexanone 1907.31
    propylene glycol 482.01
    isopropyl acetate 650.68
    DMAc 1492.34
    2-ethoxyethanol 1285.76
    isopentanol 1480.88
    n-heptane 278.59
    ethyl formate 931.95
    1,2-dichloroethane 1993.71
    n-hexanol 1455.23
    2-methoxyethanol 1714.06
    isobutyl acetate 523.17
    tetrachloromethane 977.62
    n-pentyl acetate 759.19
    transcutol 2213.48
    n-heptanol 674.41
    ethylbenzene 628.79
    MIBK 656.58
    2-propoxyethanol 1473.1
    tert-butanol 2134.67
    MTBE 1614.03
    2-butoxyethanol 851.86
    propionic acid 1156.75
    o-xylene 588.35
    formic acid 545.45
    diethyl ether 1503.65
    m-xylene 561.0
    p-xylene 867.23
    chlorobenzene 1251.46
    dimethyl carbonate 341.32
    n-octane 140.72
    formamide 598.48
    cyclopentanone 1678.64
    2-pentanone 1074.76
    anisole 931.92
    cyclopentyl methyl ether 1156.1
    gamma-butyrolactone 1802.24
    1-methoxy-2-propanol 1148.95
    pyridine 1809.31
    3-pentanone 859.02
    furfural 1670.9
    n-dodecane 107.54
    diethylene glycol 898.28
    diisopropyl ether 452.88
    tert-amyl alcohol 1972.96
    acetylacetone 859.22
    n-hexadecane 119.66
    acetophenone 846.24
    methyl propionate 789.1
    isopentyl acetate 952.89
    trichloroethylene 3716.9
    n-nonanol 644.5
    cyclohexanol 1584.03
    benzyl alcohol 845.71
    2-ethylhexanol 859.84
    isooctanol 551.7
    dipropyl ether 721.8
    1,2-dichlorobenzene 1095.02
    ethyl lactate 385.15
    propylene carbonate 1065.06
    n-methylformamide 1074.25
    2-pentanol 1234.9
    n-pentane 463.03
    1-propoxy-2-propanol 972.9
    1-methoxy-2-propyl acetate 647.62
    2-(2-methoxypropoxy) propanol 684.14
    mesitylene 389.06
    ε-caprolactone 1570.42
    p-cymene 387.28
    epichlorohydrin 1973.59
    1,1,1-trichloroethane 2137.66
    2-aminoethanol 760.51
    morpholine-4-carbaldehyde 1529.92
    sulfolane 1888.54
    2,2,4-trimethylpentane 250.24
    2-methyltetrahydrofuran 1988.47
    n-hexyl acetate 1143.49
    isooctane 167.65
    2-(2-butoxyethoxy)ethanol 836.02
    sec-butyl acetate 568.54
    tert-butyl acetate 711.88
    decalin 305.11
    glycerin 562.42
    diglyme 1471.7
    acrylic acid 996.56
    isopropyl myristate 390.86
    n-butyric acid 1511.7
    acetyl acetate 629.4
    di(2-ethylhexyl) phthalate 363.67
    ethyl propionate 712.24
    nitromethane 1761.63
    1,2-diethoxyethane 1049.42
    benzonitrile 1314.08
    trioctyl phosphate 287.52
    1-bromopropane 1647.07
    gamma-valerolactone 1908.74
    n-decanol 446.26
    triethyl phosphate 352.84
    4-methyl-2-pentanol 663.52
    propionitrile 1519.19
    vinylene carbonate 1095.18
    1,1,2-trichlorotrifluoroethane 1360.77
    DMS 581.33
    cumene 453.95
    2-octanol 575.02
    2-hexanone 998.72
    octyl acetate 515.5
    limonene 573.12
    1,2-dimethoxyethane 1907.35
    ethyl orthosilicate 361.38
    tributyl phosphate 361.49
    diacetone alcohol 740.1
    N,N-dimethylaniline 691.18
    acrylonitrile 1589.45
    aniline 955.64
    1,3-propanediol 1086.23
    bromobenzene 1402.5
    dibromomethane 2746.69
    1,1,2,2-tetrachloroethane 2967.52
    2-methyl-cyclohexyl acetate 595.76
    tetrabutyl urea 442.19
    diisobutyl methanol 429.53
    2-phenylethanol 812.05
    styrene 822.6
    dioctyl adipate 511.74
    dimethyl sulfate 515.27
    ethyl butyrate 728.6
    methyl lactate 412.34
    butyl lactate 517.86
    diethyl carbonate 528.54
    propanediol butyl ether 730.47
    triethyl orthoformate 478.14
    p-tert-butyltoluene 365.25
    methyl 4-tert-butylbenzoate 631.46
    morpholine 2373.89
    tert-butylamine 1660.83
    n-dodecanol 331.11
    dimethoxymethane 948.23
    ethylene carbonate 887.22
    cyrene 580.22
    2-ethoxyethyl acetate 725.01
    2-ethylhexyl acetate 746.44
    1,2,4-trichlorobenzene 1148.07
    4-methylpyridine 1942.24
    dibutyl ether 795.04
    2,6-dimethyl-4-heptanol 429.53
    DEF 1381.27
    dimethyl isosorbide 904.32
    tetrachloroethylene 2021.69
    eugenol 664.96
    triacetin 652.52
    span 80 629.04
    1,4-butanediol 600.29
    1,1-dichloroethane 2405.12
    2-methyl-1-pentanol 1340.69
    methyl formate 813.6
    2-methyl-1-butanol 1541.0
    n-decane 186.0
    butyronitrile 1774.05
    3,7-dimethyl-1-octanol 673.48
    1-chlorooctane 591.27
    1-chlorotetradecane 230.55
    n-nonane 200.77
    undecane 134.3
    tert-butylcyclohexane 296.8
    cyclooctane 204.7
    cyclopentanol 1452.9
    tetrahydropyran 2256.4
    tert-amyl methyl ether 1193.53
    2,5,8-trioxanonane 952.76
    1-hexene 1346.62
    2-isopropoxyethanol 873.99
    2,2,2-trifluoroethanol 455.04
    methyl butyrate 1073.31

    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