Methyl pent-2-enoate

  • Identifiers

    Molecular formula
    C6H10O2

    SMILES
    CCC=CC(=O)OC

  • Odor profile

    Fragrance
    Fruity 97.39%
    Green 78.82%
    Apple 60.88%
    Ethereal 59.8%
    Sweet 53.17%
    Pineapple 51.79%
    Sharp 50.57%
    Pungent 50.03%
    Rummy 49.21%
    Banana 46.33%

     

    Flavor
    Fruity 74.26%
    Green 38.65%
    Pungent 38.01%
    Fatty 28.46%
    Tropical 28.22%
    Berry 27.88%
    Apple 27.36%
    Ethereal 27.08%
    Sweet 26.51%
    Pineapple 25.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.77 (neutral)

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    141°C

    Flash point

    • 32.44 ˚C est.

  • Synonyms

    • methyl pent-2-enoate
    • methyl pentenoate
    • METHYL2-PENTENOATE
    • methyl trans-2-pentenoate
    • methoxycarbonylbutene
    • 2-pentenoic acid methyl ester
    • SCHEMBL690239
    • MBAHGFJTIVZLFB-UHFFFAOYSA-N
    • DTXSID701002230
    • AAA81859
    • AKOS028113499
    • DB-127843
  • Applications

    Methyl pent-2-enoate is primarily used as an organic synthesis intermediate and as a vinyl monomer for copolymers and specialty polymers, enabling polymerization to formulate coatings, inks, and adhesive systems. It also serves as a precursor in fragrance and flavor chemistry, where it can be converted to aroma-related derivatives, and it is used as a building block in the synthesis of agrochemical and pharmaceutical intermediates under appropriate conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 431.17
    methanol 519.21
    isopropanol 350.15
    water 1.38
    ethyl acetate 149.33
    n-propanol 318.74
    acetone 252.5
    n-butanol 319.62
    acetonitrile 279.93
    DMF 675.47
    toluene 136.1
    isobutanol 244.0
    1,4-dioxane 426.29
    methyl acetate 215.16
    THF 375.68
    2-butanone 233.69
    n-pentanol 242.57
    sec-butanol 332.88
    n-hexane 40.48
    ethylene glycol 134.92
    NMP 457.82
    cyclohexane 71.7
    DMSO 459.18
    n-butyl acetate 196.4
    n-octanol 169.17
    chloroform 850.41
    n-propyl acetate 128.36
    acetic acid 353.3
    dichloromethane 752.1
    cyclohexanone 330.98
    propylene glycol 160.29
    isopropyl acetate 88.46
    DMAc 450.33
    2-ethoxyethanol 273.28
    isopentanol 241.97
    n-heptane 34.32
    ethyl formate 198.05
    1,2-dichloroethane 378.87
    n-hexanol 255.5
    2-methoxyethanol 445.31
    isobutyl acetate 82.67
    tetrachloromethane 136.76
    n-pentyl acetate 130.51
    transcutol 565.14
    n-heptanol 138.98
    ethylbenzene 109.53
    MIBK 104.48
    2-propoxyethanol 305.45
    tert-butanol 392.99
    MTBE 200.95
    2-butoxyethanol 206.55
    propionic acid 261.94
    o-xylene 121.69
    formic acid 139.33
    diethyl ether 162.63
    m-xylene 105.93
    p-xylene 138.63
    chlorobenzene 231.68
    dimethyl carbonate 72.14
    n-octane 21.17
    formamide 173.09
    cyclopentanone 337.2
    2-pentanone 158.69
    anisole 190.67
    cyclopentyl methyl ether 163.74
    gamma-butyrolactone 386.01
    1-methoxy-2-propanol 301.97
    pyridine 420.61
    3-pentanone 119.26
    furfural 464.17
    n-dodecane 21.9
    diethylene glycol 254.57
    diisopropyl ether 49.02
    tert-amyl alcohol 361.08
    acetylacetone 159.76
    n-hexadecane 24.25
    acetophenone 182.48
    methyl propionate 145.32
    isopentyl acetate 162.72
    trichloroethylene 745.01
    n-nonanol 141.55
    cyclohexanol 286.73
    benzyl alcohol 210.78
    2-ethylhexanol 170.38
    isooctanol 113.11
    dipropyl ether 106.28
    1,2-dichlorobenzene 222.63
    ethyl lactate 102.14
    propylene carbonate 235.22
    n-methylformamide 297.1
    2-pentanol 197.78
    n-pentane 43.59
    1-propoxy-2-propanol 230.89
    1-methoxy-2-propyl acetate 138.3
    2-(2-methoxypropoxy) propanol 210.6
    mesitylene 75.39
    ε-caprolactone 281.84
    p-cymene 84.24
    epichlorohydrin 439.76
    1,1,1-trichloroethane 360.84
    2-aminoethanol 222.85
    morpholine-4-carbaldehyde 419.37
    sulfolane 470.48
    2,2,4-trimethylpentane 29.17
    2-methyltetrahydrofuran 309.47
    n-hexyl acetate 206.15
    isooctane 21.0
    2-(2-butoxyethoxy)ethanol 270.17
    sec-butyl acetate 80.73
    tert-butyl acetate 107.5
    decalin 41.59
    glycerin 210.58
    diglyme 438.14
    acrylic acid 251.63
    isopropyl myristate 85.9
    n-butyric acid 296.38
    acetyl acetate 100.66
    di(2-ethylhexyl) phthalate 98.35
    ethyl propionate 108.47
    nitromethane 393.49
    1,2-diethoxyethane 186.48
    benzonitrile 293.46
    trioctyl phosphate 75.16
    1-bromopropane 250.99
    gamma-valerolactone 424.9
    n-decanol 109.22
    triethyl phosphate 86.88
    4-methyl-2-pentanol 110.77
    propionitrile 246.32
    vinylene carbonate 253.76
    1,1,2-trichlorotrifluoroethane 387.83
    DMS 127.4
    cumene 83.77
    2-octanol 110.6
    2-hexanone 156.33
    octyl acetate 119.28
    limonene 120.41
    1,2-dimethoxyethane 388.95
    ethyl orthosilicate 80.62
    tributyl phosphate 84.06
    diacetone alcohol 178.32
    N,N-dimethylaniline 146.66
    acrylonitrile 336.68
    aniline 212.36
    1,3-propanediol 289.71
    bromobenzene 243.22
    dibromomethane 502.24
    1,1,2,2-tetrachloroethane 571.08
    2-methyl-cyclohexyl acetate 124.63
    tetrabutyl urea 120.62
    diisobutyl methanol 94.95
    2-phenylethanol 192.33
    styrene 142.47
    dioctyl adipate 133.19
    dimethyl sulfate 128.47
    ethyl butyrate 135.24
    methyl lactate 123.29
    butyl lactate 126.69
    diethyl carbonate 114.58
    propanediol butyl ether 211.87
    triethyl orthoformate 100.86
    p-tert-butyltoluene 80.34
    methyl 4-tert-butylbenzoate 178.41
    morpholine 492.85
    tert-butylamine 270.5
    n-dodecanol 87.04
    dimethoxymethane 211.44
    ethylene carbonate 179.61
    cyrene 169.47
    2-ethoxyethyl acetate 156.5
    2-ethylhexyl acetate 129.55
    1,2,4-trichlorobenzene 257.49
    4-methylpyridine 377.35
    dibutyl ether 125.6
    2,6-dimethyl-4-heptanol 94.95
    DEF 248.25
    dimethyl isosorbide 254.05
    tetrachloroethylene 373.49
    eugenol 195.21
    triacetin 169.3
    span 80 204.31
    1,4-butanediol 156.59
    1,1-dichloroethane 398.31
    2-methyl-1-pentanol 216.15
    methyl formate 205.85
    2-methyl-1-butanol 252.42
    n-decane 30.73
    butyronitrile 288.51
    3,7-dimethyl-1-octanol 148.95
    1-chlorooctane 104.39
    1-chlorotetradecane 49.38
    n-nonane 31.43
    undecane 25.2
    tert-butylcyclohexane 41.18
    cyclooctane 21.92
    cyclopentanol 287.86
    tetrahydropyran 341.0
    tert-amyl methyl ether 165.22
    2,5,8-trioxanonane 331.46
    1-hexene 131.65
    2-isopropoxyethanol 187.1
    2,2,2-trifluoroethanol 106.91
    methyl butyrate 176.57

    Scent© AI

1 of 4
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