2-Butenoic acid, 2-furanylmethyl ester

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  • Identifiers

    CAS number
    59020-84-7

    Molecular formula
    C9H10O3

    SMILES
    CC=CC(=O)OCC1=CC=CO1

  • Odor profile

    Fragrance
    Caramellic 57.83%
    Spicy 50.39%
    Fruity 41.58%
    Nutty 38.91%
    Burnt 38.45%
    Sweet 37.67%
    Herbal 35.91%
    Woody 35.13%
    Coffee 35.09%
    Roasted 33.51%

     

    Flavor
    Fruity 48.65%
    Caramel 40.1%
    Sweet 24.66%
    Strawberry 18.77%
    Cotton candy 18.7%
    Extremely sweet 18.6%
    Seedy 18.55%
    Broccoli 18.35%
    Toffee 18.33%
    Mildew 18.2%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.09 (neutral)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    229°C

    Flash point

    • 95.55 ˚C est.

  • Synonyms

    • 59020-84-7
    • (Furan-2-yl)methyl but-2-enoate
    • FURAN-2-YLMETHYL BUT-2-ENOATE
    • 2-Butenoic acid, 2-furanylmethyl ester
    • furfuryl-2-butenoate
    • DTXSID50698496
    • RNOSZJQXPVHHLQ-UHFFFAOYSA-N
    • DB-323774
    • NS00125057
    • 611-775-5

  • Applications

    Chemical name: 2-Butenoic acid, 2-furanylmethyl ester; CAS number: 59020-84-7. It is primarily used as an organic synthesis intermediate; in fragrance chemistry, the furyl moiety provides aroma notes and it may serve as a building block for fragrance ingredients or aroma precursors; it also shows potential as a monomer or building block for specialty polymers and resins, enabling copolymerization or crosslinking in certain plastics; in coatings and inks, it can function as a reactive ester or processing aid; in adhesives formulations it may serve as an intermediate; in cosmetics/personal care it may be considered as a fragrance ingredient or fragrance precursor, subject to applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 251.48
    methanol 399.63
    isopropanol 155.33
    water 0.62
    ethyl acetate 290.17
    n-propanol 168.92
    acetone 453.78
    n-butanol 151.42
    acetonitrile 431.56
    DMF 584.43
    toluene 163.8
    isobutanol 135.69
    1,4-dioxane 439.35
    methyl acetate 356.6
    THF 503.41
    2-butanone 368.84
    n-pentanol 138.64
    sec-butanol 189.93
    n-hexane 10.71
    ethylene glycol 72.79
    NMP 392.8
    cyclohexane 21.78
    DMSO 938.19
    n-butyl acetate 162.06
    n-octanol 59.73
    chloroform 731.17
    n-propyl acetate 178.94
    acetic acid 399.17
    dichloromethane 819.83
    cyclohexanone 335.87
    propylene glycol 88.57
    isopropyl acetate 149.74
    DMAc 736.41
    2-ethoxyethanol 302.64
    isopentanol 171.36
    n-heptane 7.32
    ethyl formate 161.14
    1,2-dichloroethane 500.17
    n-hexanol 99.09
    2-methoxyethanol 435.29
    isobutyl acetate 113.52
    tetrachloromethane 46.65
    n-pentyl acetate 77.7
    transcutol 1005.7
    n-heptanol 46.03
    ethylbenzene 101.14
    MIBK 156.16
    2-propoxyethanol 206.49
    tert-butanol 302.03
    MTBE 258.55
    2-butoxyethanol 112.49
    propionic acid 200.49
    o-xylene 111.7
    formic acid 167.86
    diethyl ether 220.02
    m-xylene 95.27
    p-xylene 138.84
    chlorobenzene 225.57
    dimethyl carbonate 140.02
    n-octane 4.28
    formamide 343.94
    cyclopentanone 378.42
    2-pentanone 221.67
    anisole 274.79
    cyclopentyl methyl ether 202.57
    gamma-butyrolactone 460.29
    1-methoxy-2-propanol 282.91
    pyridine 485.9
    3-pentanone 195.44
    furfural 463.33
    n-dodecane 6.37
    diethylene glycol 205.96
    diisopropyl ether 55.2
    tert-amyl alcohol 285.87
    acetylacetone 323.56
    n-hexadecane 7.33
    acetophenone 241.57
    methyl propionate 238.66
    isopentyl acetate 152.1
    trichloroethylene 932.08
    n-nonanol 55.36
    cyclohexanol 159.6
    benzyl alcohol 201.11
    2-ethylhexanol 74.03
    isooctanol 44.92
    dipropyl ether 69.14
    1,2-dichlorobenzene 211.06
    ethyl lactate 97.0
    propylene carbonate 221.17
    n-methylformamide 242.55
    2-pentanol 118.54
    n-pentane 8.68
    1-propoxy-2-propanol 135.08
    1-methoxy-2-propyl acetate 172.97
    2-(2-methoxypropoxy) propanol 207.99
    mesitylene 58.48
    ε-caprolactone 279.28
    p-cymene 49.42
    epichlorohydrin 599.9
    1,1,1-trichloroethane 332.56
    2-aminoethanol 128.9
    morpholine-4-carbaldehyde 459.78
    sulfolane 539.46
    2,2,4-trimethylpentane 14.72
    2-methyltetrahydrofuran 347.04
    n-hexyl acetate 130.44
    isooctane 8.92
    2-(2-butoxyethoxy)ethanol 240.6
    sec-butyl acetate 125.81
    tert-butyl acetate 178.82
    decalin 20.61
    glycerin 149.8
    diglyme 465.53
    acrylic acid 212.45
    isopropyl myristate 59.35
    n-butyric acid 216.54
    acetyl acetate 200.53
    di(2-ethylhexyl) phthalate 66.01
    ethyl propionate 163.88
    nitromethane 772.25
    1,2-diethoxyethane 223.05
    benzonitrile 224.39
    trioctyl phosphate 39.73
    1-bromopropane 216.87
    gamma-valerolactone 439.14
    n-decanol 43.58
    triethyl phosphate 80.11
    4-methyl-2-pentanol 81.12
    propionitrile 249.72
    vinylene carbonate 229.49
    1,1,2-trichlorotrifluoroethane 385.11
    DMS 178.58
    cumene 66.11
    2-octanol 37.4
    2-hexanone 178.84
    octyl acetate 70.49
    limonene 71.45
    1,2-dimethoxyethane 462.34
    ethyl orthosilicate 72.83
    tributyl phosphate 60.31
    diacetone alcohol 227.35
    N,N-dimethylaniline 175.98
    acrylonitrile 365.56
    aniline 210.66
    1,3-propanediol 178.75
    bromobenzene 245.2
    dibromomethane 473.12
    1,1,2,2-tetrachloroethane 641.82
    2-methyl-cyclohexyl acetate 116.17
    tetrabutyl urea 83.32
    diisobutyl methanol 50.22
    2-phenylethanol 137.12
    styrene 148.91
    dioctyl adipate 101.86
    dimethyl sulfate 257.42
    ethyl butyrate 128.27
    methyl lactate 126.66
    butyl lactate 76.86
    diethyl carbonate 109.88
    propanediol butyl ether 131.39
    triethyl orthoformate 94.07
    p-tert-butyltoluene 46.57
    methyl 4-tert-butylbenzoate 151.79
    morpholine 494.92
    tert-butylamine 159.75
    n-dodecanol 35.17
    dimethoxymethane 318.18
    ethylene carbonate 173.15
    cyrene 188.29
    2-ethoxyethyl acetate 142.06
    2-ethylhexyl acetate 118.63
    1,2,4-trichlorobenzene 262.36
    4-methylpyridine 404.76
    dibutyl ether 85.99
    2,6-dimethyl-4-heptanol 50.22
    DEF 303.27
    dimethyl isosorbide 279.25
    tetrachloroethylene 367.55
    eugenol 156.65
    triacetin 181.17
    span 80 132.79
    1,4-butanediol 80.22
    1,1-dichloroethane 412.58
    2-methyl-1-pentanol 156.46
    methyl formate 205.76
    2-methyl-1-butanol 161.9
    n-decane 8.72
    butyronitrile 194.96
    3,7-dimethyl-1-octanol 78.03
    1-chlorooctane 43.87
    1-chlorotetradecane 21.03
    n-nonane 7.36
    undecane 7.31
    tert-butylcyclohexane 18.3
    cyclooctane 6.79
    cyclopentanol 138.21
    tetrahydropyran 320.06
    tert-amyl methyl ether 202.91
    2,5,8-trioxanonane 365.03
    1-hexene 65.16
    2-isopropoxyethanol 199.37
    2,2,2-trifluoroethanol 127.47
    methyl butyrate 217.06

    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