3-Butenoic acid, butyl ester

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  • Identifiers

    CAS number
    14036-56-7

    Molecular formula
    C8H14O2

    SMILES
    CCCCOC(=O)CC=C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 92.11%
    Green 68.43%
    Pineapple 60.6%
    Apple 58.9%
    Tropical 46.97%
    Ethereal 46.35%
    Sweet 45.78%
    Winey 43.11%
    Rummy 37.71%
    Banana 35.8%

     

    Flavor
    Fruity 67.76%
    Pineapple 44.87%
    Tropical 35.03%
    Cheese 30.12%
    Sweet 29.5%
    Ethereal 29.29%
    Fruit 25.99%
    Fatty 25.85%
    Berry 25.31%
    Rum 24.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.94 (neutral)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    174°C

    Flash point

    • 47.62 ˚C est.

  • Synonyms

    • Butyl but-3-enoate
    • Butyl 3-butenoate
    • 3-Butenoic acid, butyl ester
    • 14036-56-7
    • but-3-enoic acid butyl ester
    • SCHEMBL164111
    • SCHEMBL11835811
    • IMTBHSQAGDZTQC-UHFFFAOYSA-N
    • DTXSID801030666
    • 14036-56-7

  • Applications

    3-Butenoic acid, butyl ester (CAS 14036-56-7) is an unsaturated alkyl ester that contains a terminal vinyl group, enabling radical polymerization; it is commonly used as a reactive monomer or reactive diluent in polymer and coating formulations, including UV- or electron-beam-curable coatings and inks. It also serves as an industrial synthesis intermediate for specialty polymers and resins, such as modified polyesters and epoxy systems, by introducing allyl/vinyl functionality. In adhesives, it can function as a functional monomer to improve cure and network formation. Additionally, it is used as a chemical building block in industrial manufacturing to prepare related esters and polymers, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1287.5
    methanol 1424.41
    isopropanol 1001.6
    water 0.79
    ethyl acetate 732.66
    n-propanol 962.91
    acetone 1284.54
    n-butanol 900.41
    acetonitrile 806.16
    DMF 1483.2
    toluene 255.87
    isobutanol 724.94
    1,4-dioxane 1060.88
    methyl acetate 663.46
    THF 1585.77
    2-butanone 840.74
    n-pentanol 640.56
    sec-butanol 902.7
    n-hexane 222.16
    ethylene glycol 187.02
    NMP 1290.28
    cyclohexane 309.98
    DMSO 1484.27
    n-butyl acetate 836.62
    n-octanol 426.61
    chloroform 1890.28
    n-propyl acetate 507.26
    acetic acid 1464.15
    dichloromethane 1605.49
    cyclohexanone 1385.24
    propylene glycol 320.4
    isopropyl acetate 421.06
    DMAc 973.34
    2-ethoxyethanol 556.65
    isopentanol 710.04
    n-heptane 116.46
    ethyl formate 497.67
    1,2-dichloroethane 969.61
    n-hexanol 799.66
    2-methoxyethanol 922.44
    isobutyl acetate 319.94
    tetrachloromethane 217.87
    n-pentyl acetate 436.66
    transcutol 2082.36
    n-heptanol 296.05
    ethylbenzene 228.5
    MIBK 385.5
    2-propoxyethanol 820.11
    tert-butanol 1125.73
    MTBE 648.23
    2-butoxyethanol 406.38
    propionic acid 838.72
    o-xylene 216.78
    formic acid 272.55
    diethyl ether 639.26
    m-xylene 207.81
    p-xylene 315.11
    chlorobenzene 568.48
    dimethyl carbonate 185.94
    n-octane 50.09
    formamide 315.03
    cyclopentanone 1313.2
    2-pentanone 712.08
    anisole 416.89
    cyclopentyl methyl ether 699.71
    gamma-butyrolactone 1350.91
    1-methoxy-2-propanol 734.84
    pyridine 991.78
    3-pentanone 470.3
    furfural 1042.66
    n-dodecane 46.34
    diethylene glycol 511.56
    diisopropyl ether 198.35
    tert-amyl alcohol 907.38
    acetylacetone 664.6
    n-hexadecane 52.77
    acetophenone 423.4
    methyl propionate 494.32
    isopentyl acetate 668.41
    trichloroethylene 1882.7
    n-nonanol 353.58
    cyclohexanol 908.28
    benzyl alcohol 399.63
    2-ethylhexanol 464.62
    isooctanol 239.81
    dipropyl ether 429.56
    1,2-dichlorobenzene 513.4
    ethyl lactate 235.27
    propylene carbonate 764.81
    n-methylformamide 626.66
    2-pentanol 646.79
    n-pentane 151.8
    1-propoxy-2-propanol 700.67
    1-methoxy-2-propyl acetate 518.92
    2-(2-methoxypropoxy) propanol 516.33
    mesitylene 157.99
    ε-caprolactone 1021.76
    p-cymene 171.55
    epichlorohydrin 1235.38
    1,1,1-trichloroethane 963.08
    2-aminoethanol 412.22
    morpholine-4-carbaldehyde 944.89
    sulfolane 1595.17
    2,2,4-trimethylpentane 73.2
    2-methyltetrahydrofuran 1216.17
    n-hexyl acetate 744.67
    isooctane 57.38
    2-(2-butoxyethoxy)ethanol 667.67
    sec-butyl acetate 316.4
    tert-butyl acetate 441.89
    decalin 119.5
    glycerin 348.46
    diglyme 1017.55
    acrylic acid 695.31
    isopropyl myristate 263.2
    n-butyric acid 1202.08
    acetyl acetate 452.77
    di(2-ethylhexyl) phthalate 244.65
    ethyl propionate 392.27
    nitromethane 1487.82
    1,2-diethoxyethane 636.87
    benzonitrile 616.02
    trioctyl phosphate 188.01
    1-bromopropane 711.95
    gamma-valerolactone 1291.22
    n-decanol 253.87
    triethyl phosphate 214.42
    4-methyl-2-pentanol 304.77
    propionitrile 672.85
    vinylene carbonate 701.12
    1,1,2-trichlorotrifluoroethane 878.48
    DMS 392.51
    cumene 170.55
    2-octanol 252.85
    2-hexanone 605.04
    octyl acetate 345.37
    limonene 293.03
    1,2-dimethoxyethane 1031.06
    ethyl orthosilicate 202.71
    tributyl phosphate 251.8
    diacetone alcohol 516.89
    N,N-dimethylaniline 308.44
    acrylonitrile 764.82
    aniline 409.01
    1,3-propanediol 593.8
    bromobenzene 606.65
    dibromomethane 1190.15
    1,1,2,2-tetrachloroethane 1569.71
    2-methyl-cyclohexyl acetate 390.7
    tetrabutyl urea 327.15
    diisobutyl methanol 239.84
    2-phenylethanol 416.76
    styrene 306.5
    dioctyl adipate 401.25
    dimethyl sulfate 318.92
    ethyl butyrate 475.09
    methyl lactate 287.92
    butyl lactate 367.99
    diethyl carbonate 323.12
    propanediol butyl ether 526.65
    triethyl orthoformate 319.6
    p-tert-butyltoluene 164.27
    methyl 4-tert-butylbenzoate 394.8
    morpholine 1305.95
    tert-butylamine 692.45
    n-dodecanol 196.02
    dimethoxymethane 573.69
    ethylene carbonate 565.97
    cyrene 382.84
    2-ethoxyethyl acetate 455.43
    2-ethylhexyl acetate 491.96
    1,2,4-trichlorobenzene 579.57
    4-methylpyridine 950.34
    dibutyl ether 507.17
    2,6-dimethyl-4-heptanol 239.84
    DEF 788.38
    dimethyl isosorbide 688.57
    tetrachloroethylene 938.68
    eugenol 397.05
    triacetin 533.04
    span 80 544.96
    1,4-butanediol 274.78
    1,1-dichloroethane 1108.99
    2-methyl-1-pentanol 565.77
    methyl formate 448.11
    2-methyl-1-butanol 675.36
    n-decane 77.73
    butyronitrile 879.25
    3,7-dimethyl-1-octanol 394.1
    1-chlorooctane 279.54
    1-chlorotetradecane 113.96
    n-nonane 80.58
    undecane 57.58
    tert-butylcyclohexane 110.09
    cyclooctane 74.75
    cyclopentanol 907.12
    tetrahydropyran 1319.53
    tert-amyl methyl ether 471.92
    2,5,8-trioxanonane 742.45
    1-hexene 574.82
    2-isopropoxyethanol 405.44
    2,2,2-trifluoroethanol 289.81
    methyl butyrate 629.33

    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