Methyl 4-pentenoate

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  • Identifiers

    CAS number
    818-57-5

    Molecular formula
    C6H10O2

    SMILES
    COC(=O)CCC=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 93.97%
    Green 76.44%
    Ethereal 50.72%
    Pineapple 47.53%
    Pungent 46.68%
    Tropical 43.41%
    Sharp 42.11%
    Apple 41.89%
    Rummy 36.82%
    Sweet 33.63%

     

    Flavor
    Fruity 74.74%
    Pineapple 34.77%
    Floral 32.46%
    Tropical 27.26%
    Pungent 24.95%
    Apple 24.74%
    Fresh 23.52%
    Berry 23.14%
    Cheese 22.95%
    Green 22.86%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.68 (neutral)

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 125.00 to 127.00 °C. @ 760.00 mm Hg

    Flash point

    • 30.88 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in propylene glycol
    • Soluble (in ethanol)

  • Synonyms

    • Methyl 4-pentenoate
    • methyl pent-4-enoate
    • 818-57-5
    • Methyl allylacetate
    • 4-Pentenoic acid, methyl ester
    • 4-Pentenoic acid methyl ester
    • Allylacetic acid methyl ester
    • Methyl 4-pentenoate [FHFI]
    • FEMA No. 4353
    • UNII-G48IPZ8O71
    • G48IPZ8O71
    • DTXSID60231373
    • methyl-4-pentenoate
    • methylpent-4-enoate
    • Methyl 4-pentenoate #
    • SCHEMBL514725
    • pent-4-enoic acid methyl ester
    • SCHEMBL13123544
    • DTXCID60153864
    • CHEBI:173394
    • AAA81857
    • LMFA07010954
    • MFCD03990590
    • AKOS017326482
    • AB16906
    • AT23749
    • Methyl 4-pentenoate, >=95.0% (GC)
    • BS-23625
    • DA-41292
    • CS-0187527
    • EN300-100649
    • Q27278732
    • 627-166-2

  • Applications

    Methyl 4-pentenoate (CAS 818-57-5) acts as a reactive monomer and synthetic intermediate in polymer chemistry, offering a pendant allyl group that can be incorporated by radical polymerization to yield functional polyesters and acrylic-type resins. It is used as a reactive diluent and crosslinkable monomer in UV-curable coatings and inks, enabling rapid cure and enhanced network formation. The compound also serves as an intermediate in the synthesis of specialty polymers and materials for adhesives, where the allyl functionality facilitates crosslinking. In industrial manufacturing, it may be employed as a building block for resin systems and surface coatings, with use limited by formulation constraints and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 412.85
    methanol 577.97
    isopropanol 302.62
    water 5.61
    ethyl acetate 111.88
    n-propanol 274.34
    acetone 153.44
    n-butanol 259.06
    acetonitrile 272.08
    DMF 327.24
    toluene 91.11
    isobutanol 191.22
    1,4-dioxane 398.77
    methyl acetate 162.86
    THF 289.56
    2-butanone 156.97
    n-pentanol 200.8
    sec-butanol 263.86
    n-hexane 28.37
    ethylene glycol 107.27
    NMP 253.36
    cyclohexane 47.8
    DMSO 297.17
    n-butyl acetate 96.39
    n-octanol 111.58
    chloroform 494.85
    n-propyl acetate 81.7
    acetic acid 303.47
    dichloromethane 454.47
    cyclohexanone 195.87
    propylene glycol 122.39
    isopropyl acetate 56.98
    DMAc 335.63
    2-ethoxyethanol 251.91
    isopentanol 198.88
    n-heptane 22.67
    ethyl formate 136.19
    1,2-dichloroethane 197.07
    n-hexanol 167.69
    2-methoxyethanol 365.04
    isobutyl acetate 53.04
    tetrachloromethane 81.32
    n-pentyl acetate 74.6
    transcutol 475.17
    n-heptanol 85.83
    ethylbenzene 73.51
    MIBK 65.99
    2-propoxyethanol 201.65
    tert-butanol 320.33
    MTBE 158.58
    2-butoxyethanol 135.72
    propionic acid 209.41
    o-xylene 86.92
    formic acid 154.88
    diethyl ether 135.44
    m-xylene 65.67
    p-xylene 99.98
    chlorobenzene 121.97
    dimethyl carbonate 38.78
    n-octane 12.19
    formamide 172.79
    cyclopentanone 191.29
    2-pentanone 96.88
    anisole 133.57
    cyclopentyl methyl ether 115.83
    gamma-butyrolactone 214.16
    1-methoxy-2-propanol 218.0
    pyridine 289.69
    3-pentanone 80.57
    furfural 278.54
    n-dodecane 12.94
    diethylene glycol 172.62
    diisopropyl ether 34.87
    tert-amyl alcohol 291.58
    acetylacetone 91.4
    n-hexadecane 14.15
    acetophenone 120.87
    methyl propionate 88.99
    isopentyl acetate 87.84
    trichloroethylene 373.64
    n-nonanol 95.32
    cyclohexanol 201.62
    benzyl alcohol 149.87
    2-ethylhexanol 103.73
    isooctanol 72.38
    dipropyl ether 74.03
    1,2-dichlorobenzene 116.81
    ethyl lactate 64.59
    propylene carbonate 128.64
    n-methylformamide 199.74
    2-pentanol 156.29
    n-pentane 31.96
    1-propoxy-2-propanol 137.67
    1-methoxy-2-propyl acetate 78.69
    2-(2-methoxypropoxy) propanol 163.45
    mesitylene 44.37
    ε-caprolactone 176.22
    p-cymene 47.64
    epichlorohydrin 258.47
    1,1,1-trichloroethane 193.73
    2-aminoethanol 193.11
    morpholine-4-carbaldehyde 302.62
    sulfolane 237.71
    2,2,4-trimethylpentane 20.39
    2-methyltetrahydrofuran 232.68
    n-hexyl acetate 119.11
    isooctane 12.0
    2-(2-butoxyethoxy)ethanol 195.27
    sec-butyl acetate 56.02
    tert-butyl acetate 69.5
    decalin 27.62
    glycerin 148.07
    diglyme 300.37
    acrylic acid 184.58
    isopropyl myristate 54.0
    n-butyric acid 216.37
    acetyl acetate 73.53
    di(2-ethylhexyl) phthalate 64.08
    ethyl propionate 72.5
    nitromethane 307.64
    1,2-diethoxyethane 147.41
    benzonitrile 176.53
    trioctyl phosphate 43.6
    1-bromopropane 150.9
    gamma-valerolactone 257.39
    n-decanol 72.33
    triethyl phosphate 55.11
    4-methyl-2-pentanol 81.13
    propionitrile 202.42
    vinylene carbonate 145.7
    1,1,2-trichlorotrifluoroethane 223.56
    DMS 73.27
    cumene 57.28
    2-octanol 68.71
    2-hexanone 99.51
    octyl acetate 69.82
    limonene 70.11
    1,2-dimethoxyethane 332.06
    ethyl orthosilicate 52.74
    tributyl phosphate 52.13
    diacetone alcohol 113.35
    N,N-dimethylaniline 110.07
    acrylonitrile 239.65
    aniline 139.16
    1,3-propanediol 247.2
    bromobenzene 120.07
    dibromomethane 294.86
    1,1,2,2-tetrachloroethane 300.37
    2-methyl-cyclohexyl acetate 82.51
    tetrabutyl urea 74.38
    diisobutyl methanol 57.73
    2-phenylethanol 116.63
    styrene 91.06
    dioctyl adipate 85.76
    dimethyl sulfate 68.85
    ethyl butyrate 83.31
    methyl lactate 71.16
    butyl lactate 70.04
    diethyl carbonate 69.15
    propanediol butyl ether 133.08
    triethyl orthoformate 65.32
    p-tert-butyltoluene 44.16
    methyl 4-tert-butylbenzoate 109.51
    morpholine 396.47
    tert-butylamine 220.02
    n-dodecanol 56.25
    dimethoxymethane 136.72
    ethylene carbonate 104.61
    cyrene 127.31
    2-ethoxyethyl acetate 98.09
    2-ethylhexyl acetate 70.13
    1,2,4-trichlorobenzene 140.0
    4-methylpyridine 242.68
    dibutyl ether 92.58
    2,6-dimethyl-4-heptanol 57.73
    DEF 160.22
    dimethyl isosorbide 179.28
    tetrachloroethylene 211.06
    eugenol 122.65
    triacetin 112.23
    span 80 142.69
    1,4-butanediol 126.72
    1,1-dichloroethane 220.48
    2-methyl-1-pentanol 174.72
    methyl formate 126.1
    2-methyl-1-butanol 200.02
    n-decane 19.95
    butyronitrile 223.5
    3,7-dimethyl-1-octanol 101.82
    1-chlorooctane 61.57
    1-chlorotetradecane 29.06
    n-nonane 19.09
    undecane 15.52
    tert-butylcyclohexane 26.55
    cyclooctane 14.19
    cyclopentanol 198.26
    tetrahydropyran 271.81
    tert-amyl methyl ether 130.52
    2,5,8-trioxanonane 250.79
    1-hexene 95.72
    2-isopropoxyethanol 157.1
    2,2,2-trifluoroethanol 90.91
    methyl butyrate 112.96

    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