Methyl 3-butenoate

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  • Identifiers

    CAS number
    3724-55-8

    Molecular formula
    C5H8O2

    SMILES
    COC(=O)CC=C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 94.13%
    Green 70.39%
    Ethereal 62.45%
    Pungent 54.83%
    Apple 52.46%
    Rummy 50.13%
    Sharp 48.84%
    Winey 41.89%
    Pineapple 40.66%
    Fresh 40.49%

     

    Flavor
    Fruity 60.64%
    Pungent 37.23%
    Floral 31.33%
    Tropical 24.21%
    Ethereal 23.8%
    Cheese 22.28%
    Sharp 21.91%
    Strawberry 21.7%
    Soy 20.43%
    Pineapple 19.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.31 (neutral)

    Molecular weight
    100.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    121°C

    Flash point

    • 15.62 ˚C est.

  • Synonyms

    • Methyl 3-butenoate
    • Methyl But-3-enoate
    • 3724-55-8
    • 3-Butenoic acid, methyl ester
    • MFCD00082587
    • methyl-3-butenoate
    • methylbut-3-enoate
    • but-3-enoic acid methyl ester
    • CH2=CHCH2C(O)OCH3
    • EINECS 223-076-9
    • methyl 3-buteneoate
    • NSC 250983
    • Methyl 3-butenoate, 95%
    • SCHEMBL183554
    • SCHEMBL1076483
    • SCHEMBL1464172
    • SCHEMBL3661363
    • SCHEMBL8699795
    • SCHEMBL9569402
    • DTXSID5063150
    • SCHEMBL13123537
    • SCHEMBL16144025
    • NSC250983
    • AKOS017276233
    • NSC-250983
    • BS-22316
    • SY025883
    • DB-069512
    • CS-0158011
    • M3405
    • NS00030170
    • EN300-113971
    • F15018
    • 724M558
    • F513980
    • 3724-55-8

  • Applications

    Methyl 3-butenoate (CAS 3724-55-8) is primarily used as an industrial chemical intermediate and as a reactive monomer for polymer and resin synthesis. In polymers and coatings, it can be copolymerized with other vinyl monomers to form vinyl ester-type resins and specialty polymers, and it may function as a reactive diluent or crosslinkable unit in UV-curable coatings and inks. It also serves as a building block in organic synthesis for fine chemicals, enabling routes to more complex intermediates, including components for fragrance chemistry, so it is commonly evaluated for fragrance and flavor applications as an aroma intermediate. In adhesives and specialty materials, the ester functionality supports derivatization to functionalized monomers and oligomers used in formulations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 354.27
    methanol 496.23
    isopropanol 318.25
    water 15.99
    ethyl acetate 231.21
    n-propanol 283.94
    acetone 433.19
    n-butanol 235.48
    acetonitrile 454.62
    DMF 702.68
    toluene 64.99
    isobutanol 228.46
    1,4-dioxane 386.32
    methyl acetate 312.89
    THF 421.33
    2-butanone 340.04
    n-pentanol 186.12
    sec-butanol 311.88
    n-hexane 35.56
    ethylene glycol 138.52
    NMP 681.75
    cyclohexane 26.34
    DMSO 574.49
    n-butyl acetate 110.95
    n-octanol 110.64
    chloroform 434.91
    n-propyl acetate 142.12
    acetic acid 513.92
    dichloromethane 424.25
    cyclohexanone 340.71
    propylene glycol 172.48
    isopropyl acetate 133.01
    DMAc 624.69
    2-ethoxyethanol 282.07
    isopentanol 191.23
    n-heptane 17.09
    ethyl formate 186.77
    1,2-dichloroethane 255.4
    n-hexanol 142.1
    2-methoxyethanol 426.41
    isobutyl acetate 91.76
    tetrachloromethane 76.27
    n-pentyl acetate 96.75
    transcutol 526.45
    n-heptanol 77.72
    ethylbenzene 59.19
    MIBK 139.06
    2-propoxyethanol 227.29
    tert-butanol 383.64
    MTBE 229.37
    2-butoxyethanol 134.38
    propionic acid 356.11
    o-xylene 78.55
    formic acid 199.42
    diethyl ether 190.59
    m-xylene 67.67
    p-xylene 90.75
    chlorobenzene 134.02
    dimethyl carbonate 92.08
    n-octane 11.02
    formamide 205.95
    cyclopentanone 438.68
    2-pentanone 228.31
    anisole 146.42
    cyclopentyl methyl ether 197.58
    gamma-butyrolactone 503.2
    1-methoxy-2-propanol 347.32
    pyridine 236.26
    3-pentanone 190.22
    furfural 403.21
    n-dodecane 12.37
    diethylene glycol 216.43
    diisopropyl ether 59.05
    tert-amyl alcohol 344.66
    acetylacetone 264.43
    n-hexadecane 13.22
    acetophenone 163.38
    methyl propionate 213.85
    isopentyl acetate 108.31
    trichloroethylene 493.8
    n-nonanol 92.79
    cyclohexanol 205.99
    benzyl alcohol 136.78
    2-ethylhexanol 88.75
    isooctanol 69.57
    dipropyl ether 73.44
    1,2-dichlorobenzene 142.65
    ethyl lactate 110.64
    propylene carbonate 254.03
    n-methylformamide 336.24
    2-pentanol 185.93
    n-pentane 29.36
    1-propoxy-2-propanol 157.61
    1-methoxy-2-propyl acetate 126.91
    2-(2-methoxypropoxy) propanol 179.39
    mesitylene 50.45
    ε-caprolactone 287.07
    p-cymene 45.07
    epichlorohydrin 407.61
    1,1,1-trichloroethane 267.91
    2-aminoethanol 217.13
    morpholine-4-carbaldehyde 499.28
    sulfolane 639.03
    2,2,4-trimethylpentane 27.01
    2-methyltetrahydrofuran 349.77
    n-hexyl acetate 169.13
    isooctane 15.6
    2-(2-butoxyethoxy)ethanol 208.32
    sec-butyl acetate 98.71
    tert-butyl acetate 156.31
    decalin 25.79
    glycerin 233.98
    diglyme 315.15
    acrylic acid 338.7
    isopropyl myristate 66.78
    n-butyric acid 305.19
    acetyl acetate 147.95
    di(2-ethylhexyl) phthalate 75.09
    ethyl propionate 138.75
    nitromethane 690.15
    1,2-diethoxyethane 145.89
    benzonitrile 177.93
    trioctyl phosphate 55.61
    1-bromopropane 162.5
    gamma-valerolactone 465.39
    n-decanol 70.47
    triethyl phosphate 68.12
    4-methyl-2-pentanol 96.92
    propionitrile 273.3
    vinylene carbonate 235.32
    1,1,2-trichlorotrifluoroethane 366.81
    DMS 136.96
    cumene 55.69
    2-octanol 71.62
    2-hexanone 165.87
    octyl acetate 87.25
    limonene 66.49
    1,2-dimethoxyethane 366.98
    ethyl orthosilicate 63.87
    tributyl phosphate 70.6
    diacetone alcohol 218.54
    N,N-dimethylaniline 129.41
    acrylonitrile 360.8
    aniline 129.84
    1,3-propanediol 249.08
    bromobenzene 117.26
    dibromomethane 273.25
    1,1,2,2-tetrachloroethane 398.01
    2-methyl-cyclohexyl acetate 103.49
    tetrabutyl urea 93.64
    diisobutyl methanol 56.83
    2-phenylethanol 111.37
    styrene 69.68
    dioctyl adipate 102.07
    dimethyl sulfate 200.38
    ethyl butyrate 100.69
    methyl lactate 160.74
    butyl lactate 95.03
    diethyl carbonate 75.9
    propanediol butyl ether 170.01
    triethyl orthoformate 74.84
    p-tert-butyltoluene 43.01
    methyl 4-tert-butylbenzoate 140.42
    morpholine 413.08
    tert-butylamine 215.67
    n-dodecanol 54.46
    dimethoxymethane 243.31
    ethylene carbonate 177.91
    cyrene 190.39
    2-ethoxyethyl acetate 127.59
    2-ethylhexyl acetate 84.73
    1,2,4-trichlorobenzene 186.08
    4-methylpyridine 260.46
    dibutyl ether 94.66
    2,6-dimethyl-4-heptanol 56.83
    DEF 329.75
    dimethyl isosorbide 237.16
    tetrachloroethylene 246.14
    eugenol 148.78
    triacetin 168.84
    span 80 149.96
    1,4-butanediol 143.59
    1,1-dichloroethane 307.19
    2-methyl-1-pentanol 172.78
    methyl formate 255.05
    2-methyl-1-butanol 215.26
    n-decane 18.19
    butyronitrile 239.39
    3,7-dimethyl-1-octanol 100.87
    1-chlorooctane 64.32
    1-chlorotetradecane 29.65
    n-nonane 17.48
    undecane 14.68
    tert-butylcyclohexane 30.54
    cyclooctane 11.53
    cyclopentanol 269.76
    tetrahydropyran 274.64
    tert-amyl methyl ether 187.69
    2,5,8-trioxanonane 251.36
    1-hexene 96.33
    2-isopropoxyethanol 192.56
    2,2,2-trifluoroethanol 194.42
    methyl butyrate 195.86

    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