2-Propenoic acid, 3-(2-furanyl)-, 1-methylethyl ester

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  • Identifiers

    CAS number
    72987-57-6

    Molecular formula
    C10H12O3

    SMILES
    CC(C)OC(=O)/C=C/C1=CC=CO1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 91.26%
    Sweet 64.13%
    Berry 49.75%
    Spicy 49.55%
    Balsamic 48.9%
    Apple 48.8%
    Caramellic 47.25%
    Tropical 45.42%
    Floral 42.87%
    Strawberry 38.1%

     

    Flavor
    Fruity 65.97%
    Grape 27.52%
    Caramel 24.02%
    Berry 22.29%
    Sweet 21.78%
    Musty 19.92%
    Strawberry 19.49%
    Toffee 18.91%
    Orange flower 18.75%
    Cotton candy 18.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.37 (neutral)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    246°C

    Flash point

    • 103.58 ˚C est.

  • Synonyms

    • Isopropyl beta-2-furylacrylate
    • EINECS 277-187-2
    • 2-Propenoic acid, 3-(2-furanyl)-, 1-methylethyl ester
    • RefChem:482035
    • Isopropyl 3-(2-furyl)acrylate
    • Isopropyl 3-(2-furanyl)acrylate
    • Isopropyl 3-(furan-2-yl)acrylate
    • 72987-57-6
    • propan-2-yl 3-(furan-2-yl)prop-2-enoate
    • SCHEMBL336288
    • DTXSID2072700
    • Isopropyl (E)-3-furan-2-ylacrylate
    • STK525759
    • AKOS005459387
    • (E)-isopropyl 3-(furan-2-yl)acrylate
    • NS00037455
    • (E)-3-Furan-2-yl-acrylic acid isopropyl ester
    • propan-2-yl (2E)-3-(furan-2-yl)prop-2-enoate
    • 72987-57-6

  • Applications

    Chemical identity: 2-Propenoic acid, 3-(2-furanyl)-, 1-methylethyl ester; CAS 72987-57-6. It is primarily used as a polymerizable monomer for acrylate-based systems. It is employed in making polyacrylate copolymers used in coatings, inks, and adhesives, where the furyl substituent can tune reactivity and material properties. It serves as a building block for specialty polymers intended for electronics encapsulation and optical coatings, taking advantage of the furyl functionality to influence crosslinking behavior. It is also used as an intermediate in the synthesis of advanced monomers and resins that incorporate furyl groups for tailored performance. In formulations, it may be used in UV-curable resin systems to enable fast curing while contributing flexibility and adhesion.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 100.84
    methanol 130.35
    isopropanol 67.53
    water 0.43
    ethyl acetate 125.43
    n-propanol 70.93
    acetone 265.16
    n-butanol 75.18
    acetonitrile 148.46
    DMF 680.65
    toluene 73.32
    isobutanol 62.0
    1,4-dioxane 206.71
    methyl acetate 182.42
    THF 355.68
    2-butanone 195.93
    n-pentanol 60.93
    sec-butanol 74.52
    n-hexane 9.34
    ethylene glycol 39.73
    NMP 659.75
    cyclohexane 7.68
    DMSO 676.92
    n-butyl acetate 110.86
    n-octanol 35.75
    chloroform 432.71
    n-propyl acetate 88.17
    acetic acid 225.62
    dichloromethane 451.3
    cyclohexanone 238.33
    propylene glycol 47.78
    isopropyl acetate 92.23
    DMAc 942.56
    2-ethoxyethanol 156.74
    isopentanol 88.86
    n-heptane 4.68
    ethyl formate 78.37
    1,2-dichloroethane 277.94
    n-hexanol 60.67
    2-methoxyethanol 239.96
    isobutyl acetate 71.63
    tetrachloromethane 31.17
    n-pentyl acetate 53.91
    transcutol 659.56
    n-heptanol 24.29
    ethylbenzene 57.8
    MIBK 97.99
    2-propoxyethanol 154.8
    tert-butanol 127.5
    MTBE 138.68
    2-butoxyethanol 69.76
    propionic acid 120.27
    o-xylene 65.95
    formic acid 94.43
    diethyl ether 92.49
    m-xylene 59.86
    p-xylene 74.42
    chlorobenzene 148.59
    dimethyl carbonate 112.23
    n-octane 2.44
    formamide 156.78
    cyclopentanone 333.41
    2-pentanone 126.74
    anisole 172.52
    cyclopentyl methyl ether 153.92
    gamma-butyrolactone 393.62
    1-methoxy-2-propanol 176.82
    pyridine 215.37
    3-pentanone 126.88
    furfural 364.97
    n-dodecane 3.67
    diethylene glycol 147.06
    diisopropyl ether 34.32
    tert-amyl alcohol 123.1
    acetylacetone 223.75
    n-hexadecane 4.25
    acetophenone 169.76
    methyl propionate 139.26
    isopentyl acetate 116.65
    trichloroethylene 569.84
    n-nonanol 34.47
    cyclohexanol 80.29
    benzyl alcohol 112.46
    2-ethylhexanol 48.75
    isooctanol 24.23
    dipropyl ether 48.53
    1,2-dichlorobenzene 160.66
    ethyl lactate 66.17
    propylene carbonate 197.78
    n-methylformamide 169.34
    2-pentanol 55.3
    n-pentane 5.48
    1-propoxy-2-propanol 101.03
    1-methoxy-2-propyl acetate 146.0
    2-(2-methoxypropoxy) propanol 164.98
    mesitylene 36.96
    ε-caprolactone 216.53
    p-cymene 35.3
    epichlorohydrin 411.79
    1,1,1-trichloroethane 194.2
    2-aminoethanol 67.8
    morpholine-4-carbaldehyde 458.86
    sulfolane 563.65
    2,2,4-trimethylpentane 9.71
    2-methyltetrahydrofuran 232.79
    n-hexyl acetate 99.9
    isooctane 5.57
    2-(2-butoxyethoxy)ethanol 175.5
    sec-butyl acetate 75.99
    tert-butyl acetate 124.38
    decalin 14.49
    glycerin 96.05
    diglyme 307.38
    acrylic acid 138.7
    isopropyl myristate 46.84
    n-butyric acid 125.76
    acetyl acetate 126.99
    di(2-ethylhexyl) phthalate 59.99
    ethyl propionate 92.63
    nitromethane 440.39
    1,2-diethoxyethane 137.99
    benzonitrile 134.79
    trioctyl phosphate 32.73
    1-bromopropane 115.63
    gamma-valerolactone 398.67
    n-decanol 26.42
    triethyl phosphate 66.3
    4-methyl-2-pentanol 43.92
    propionitrile 90.96
    vinylene carbonate 192.01
    1,1,2-trichlorotrifluoroethane 326.66
    DMS 158.51
    cumene 43.93
    2-octanol 20.14
    2-hexanone 100.32
    octyl acetate 56.13
    limonene 53.08
    1,2-dimethoxyethane 267.57
    ethyl orthosilicate 59.91
    tributyl phosphate 55.07
    diacetone alcohol 150.17
    N,N-dimethylaniline 129.32
    acrylonitrile 152.63
    aniline 116.28
    1,3-propanediol 89.78
    bromobenzene 158.76
    dibromomethane 254.06
    1,1,2,2-tetrachloroethane 424.03
    2-methyl-cyclohexyl acetate 98.24
    tetrabutyl urea 76.97
    diisobutyl methanol 32.34
    2-phenylethanol 96.68
    styrene 79.43
    dioctyl adipate 85.54
    dimethyl sulfate 266.58
    ethyl butyrate 84.47
    methyl lactate 100.58
    butyl lactate 59.39
    diethyl carbonate 77.37
    propanediol butyl ether 94.28
    triethyl orthoformate 69.86
    p-tert-butyltoluene 35.18
    methyl 4-tert-butylbenzoate 119.47
    morpholine 243.64
    tert-butylamine 76.44
    n-dodecanol 21.22
    dimethoxymethane 230.85
    ethylene carbonate 138.87
    cyrene 166.06
    2-ethoxyethyl acetate 106.21
    2-ethylhexyl acetate 95.37
    1,2,4-trichlorobenzene 211.23
    4-methylpyridine 252.49
    dibutyl ether 57.35
    2,6-dimethyl-4-heptanol 32.34
    DEF 222.06
    dimethyl isosorbide 264.57
    tetrachloroethylene 207.92
    eugenol 115.72
    triacetin 162.23
    span 80 105.34
    1,4-butanediol 42.33
    1,1-dichloroethane 209.21
    2-methyl-1-pentanol 80.42
    methyl formate 133.08
    2-methyl-1-butanol 83.36
    n-decane 5.39
    butyronitrile 87.41
    3,7-dimethyl-1-octanol 50.22
    1-chlorooctane 29.36
    1-chlorotetradecane 14.72
    n-nonane 4.45
    undecane 4.37
    tert-butylcyclohexane 14.32
    cyclooctane 3.4
    cyclopentanol 88.91
    tetrahydropyran 137.69
    tert-amyl methyl ether 125.29
    2,5,8-trioxanonane 256.7
    1-hexene 38.06
    2-isopropoxyethanol 113.68
    2,2,2-trifluoroethanol 94.37
    methyl butyrate 118.59

    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