Furylacrylic acid

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  • Identifiers

    CAS number
    539-47-9

    Molecular formula
    C7H6O3

    SMILES
    C1=COC(=C1)C=CC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Caramellic 57.4%
    Spicy 56.9%
    Balsamic 50.28%
    Sweet 43.67%
    Burnt 42.97%
    Cinnamon 37.21%
    Nutty 35.89%
    Fruity 34.03%
    Sour 33.32%
    Phenolic 31.15%

     

    Flavor
    Odorless 45.23%
    Nutty 35.38%
    Sour 32.67%
    Faint 26.1%
    Musty 23.48%
    Mild 22.89%
    Bread 22.56%
    Urine 21.92%
    Phenolic 21.68%
    Cardboard 21.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    6.24 (neutral)

    Molecular weight
    138.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    259°C

    Flash point

    • 127.89 ˚C est.

  • Synonyms

    • Furylacrylic acid
    • 3-(2-Furanyl)-2-propenoic acid
    • DTXSID9060233
    • RefChem:921952
    • DTXCID4041529
    • 2-Propenoic acid, 3-(2-furanyl)-
    • 539-47-9
    • Furanacrylic acid
    • beta-(2-Furyl)acrylic acid
    • Nalfurafine Impurity 32
    • 3-(2-furanyl)acrylic acid
    • 3-furan-2-yl-acrylic acid
    • SCHEMBL125126
    • 3-(furan-2-yl)-acrylic acid
    • orb3027215
    • SCHEMBL8763706
    • 3-(2-furyl)prop-2-enoic acid
    • AKOS016038035
    • SB60967
    • SY056646
    • DB-021722
    • Furan-2-acrylic acid;Furfurylideneacetic acid
    • 539-47-9

  • Applications

    Furylacrylic acid (CAS 539-47-9) is primarily used as a functional monomer and intermediate for specialty polymers and resins. Practical applications include polymer and plastic systems, coatings and inks, particularly acrylate-based and UV-curable coatings, adhesives based on acrylate chemistry, and as a building block in the synthesis of specialty organic compounds used for pharmaceutical intermediates, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 378.54
    methanol 718.12
    isopropanol 238.29
    water 36.75
    ethyl acetate 95.47
    n-propanol 240.25
    acetone 239.73
    n-butanol 189.36
    acetonitrile 161.63
    DMF 657.95
    toluene 22.6
    isobutanol 161.15
    1,4-dioxane 229.12
    methyl acetate 168.43
    THF 242.66
    2-butanone 210.15
    n-pentanol 121.71
    sec-butanol 193.61
    n-hexane 3.36
    ethylene glycol 159.11
    NMP 324.45
    cyclohexane 6.77
    DMSO 608.12
    n-butyl acetate 42.16
    n-octanol 58.7
    chloroform 26.72
    n-propyl acetate 52.13
    acetic acid 130.04
    dichloromethane 72.0
    cyclohexanone 100.67
    propylene glycol 112.06
    isopropyl acetate 50.12
    DMAc 763.0
    2-ethoxyethanol 246.05
    isopentanol 149.32
    n-heptane 6.96
    ethyl formate 101.96
    1,2-dichloroethane 58.57
    n-hexanol 64.59
    2-methoxyethanol 421.4
    isobutyl acetate 29.01
    tetrachloromethane 5.45
    n-pentyl acetate 32.63
    transcutol 273.71
    n-heptanol 43.45
    ethylbenzene 22.88
    MIBK 58.3
    2-propoxyethanol 141.24
    tert-butanol 260.84
    MTBE 127.78
    2-butoxyethanol 92.23
    propionic acid 102.95
    o-xylene 37.04
    formic acid 139.44
    diethyl ether 111.52
    m-xylene 22.86
    p-xylene 28.99
    chlorobenzene 20.25
    dimethyl carbonate 89.1
    n-octane 3.7
    formamide 303.33
    cyclopentanone 137.31
    2-pentanone 102.3
    anisole 87.66
    cyclopentyl methyl ether 77.36
    gamma-butyrolactone 155.42
    1-methoxy-2-propanol 242.96
    pyridine 111.87
    3-pentanone 90.24
    furfural 142.97
    n-dodecane 5.44
    diethylene glycol 161.43
    diisopropyl ether 25.61
    tert-amyl alcohol 213.99
    acetylacetone 84.95
    n-hexadecane 5.56
    acetophenone 77.25
    methyl propionate 125.73
    isopentyl acetate 41.65
    trichloroethylene 56.95
    n-nonanol 53.39
    cyclohexanol 83.1
    benzyl alcohol 84.59
    2-ethylhexanol 42.48
    isooctanol 35.63
    dipropyl ether 48.26
    1,2-dichlorobenzene 23.23
    ethyl lactate 45.23
    propylene carbonate 71.57
    n-methylformamide 346.69
    2-pentanol 99.66
    n-pentane 6.17
    1-propoxy-2-propanol 88.28
    1-methoxy-2-propyl acetate 65.84
    2-(2-methoxypropoxy) propanol 116.55
    mesitylene 16.72
    ε-caprolactone 91.14
    p-cymene 20.96
    epichlorohydrin 179.32
    1,1,1-trichloroethane 24.11
    2-aminoethanol 225.92
    morpholine-4-carbaldehyde 336.0
    sulfolane 173.42
    2,2,4-trimethylpentane 5.53
    2-methyltetrahydrofuran 159.75
    n-hexyl acetate 50.71
    isooctane 3.15
    2-(2-butoxyethoxy)ethanol 140.01
    sec-butyl acetate 35.88
    tert-butyl acetate 52.75
    decalin 5.44
    glycerin 146.1
    diglyme 240.86
    acrylic acid 87.65
    isopropyl myristate 29.1
    n-butyric acid 90.41
    acetyl acetate 46.38
    di(2-ethylhexyl) phthalate 35.38
    ethyl propionate 54.96
    nitromethane 236.51
    1,2-diethoxyethane 85.06
    benzonitrile 53.88
    trioctyl phosphate 27.49
    1-bromopropane 38.43
    gamma-valerolactone 186.6
    n-decanol 44.27
    triethyl phosphate 34.52
    4-methyl-2-pentanol 50.74
    propionitrile 120.8
    vinylene carbonate 69.56
    1,1,2-trichlorotrifluoroethane 99.74
    DMS 52.24
    cumene 20.64
    2-octanol 30.73
    2-hexanone 68.16
    octyl acetate 40.42
    limonene 29.8
    1,2-dimethoxyethane 320.87
    ethyl orthosilicate 33.56
    tributyl phosphate 30.06
    diacetone alcohol 100.24
    N,N-dimethylaniline 86.95
    acrylonitrile 141.38
    aniline 62.12
    1,3-propanediol 228.54
    bromobenzene 15.38
    dibromomethane 33.44
    1,1,2,2-tetrachloroethane 45.76
    2-methyl-cyclohexyl acetate 43.06
    tetrabutyl urea 58.44
    diisobutyl methanol 29.54
    2-phenylethanol 58.51
    styrene 25.9
    dioctyl adipate 47.21
    dimethyl sulfate 128.39
    ethyl butyrate 45.69
    methyl lactate 83.62
    butyl lactate 34.26
    diethyl carbonate 37.7
    propanediol butyl ether 82.05
    triethyl orthoformate 39.35
    p-tert-butyltoluene 19.63
    methyl 4-tert-butylbenzoate 69.18
    morpholine 267.93
    tert-butylamine 123.45
    n-dodecanol 36.64
    dimethoxymethane 324.7
    ethylene carbonate 59.47
    cyrene 106.22
    2-ethoxyethyl acetate 54.05
    2-ethylhexyl acetate 32.54
    1,2,4-trichlorobenzene 30.28
    4-methylpyridine 101.05
    dibutyl ether 45.15
    2,6-dimethyl-4-heptanol 29.54
    DEF 189.62
    dimethyl isosorbide 135.68
    tetrachloroethylene 28.09
    eugenol 73.82
    triacetin 60.33
    span 80 73.37
    1,4-butanediol 121.09
    1,1-dichloroethane 38.41
    2-methyl-1-pentanol 106.37
    methyl formate 216.46
    2-methyl-1-butanol 152.65
    n-decane 7.06
    butyronitrile 100.88
    3,7-dimethyl-1-octanol 52.34
    1-chlorooctane 20.46
    1-chlorotetradecane 12.11
    n-nonane 6.12
    undecane 6.02
    tert-butylcyclohexane 5.32
    cyclooctane 3.41
    cyclopentanol 105.14
    tetrahydropyran 122.12
    tert-amyl methyl ether 104.41
    2,5,8-trioxanonane 208.57
    1-hexene 15.77
    2-isopropoxyethanol 145.73
    2,2,2-trifluoroethanol 60.93
    methyl butyrate 77.27

    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