Allyl furoate

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  • Identifiers

    CAS number
    4208-49-5

    Molecular formula
    C8H8O3

    SMILES
    C=CCOC(=O)C1=CC=CO1

  • Odor profile

    Fragrance
    Fruity 91.96%
    Caramellic 58.46%
    Sweet 44.73%
    Burnt 37.54%
    Pineapple 37.07%
    Berry 36.51%
    Winey 33.93%
    Tropical 33.06%
    Spicy 32.22%
    Herbal 31.34%

     

    Flavor
    Fruity 72.09%
    Caramel 49.62%
    Sweet 35.57%
    Grape 33.24%
    Strawberry 25.56%
    Mushroom 25.13%
    Creamy 24.53%
    Jam 22.37%
    Buttery 22.16%
    Berry 21.85%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    5.78 (weak acid)

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 206.00 to 209.00 °C. @ 760.00 mm Hg

    Flash point

    • 83.71 ˚C est.

  • Synonyms

    • Allyl 2-furoate
    • 4208-49-5
    • allyl furan-2-carboxylate
    • Allyl furoate
    • Allyl pyromucate
    • 2-Furoic acid, allyl ester
    • Allyl 2-furancarboxylate
    • 2-Furancarboxylic acid, 2-propenyl ester
    • 2-Propenyl 2-furancarboxylate
    • FEMA No. 2030
    • 2-Propen-1-yl 2-furoate
    • 2-Propen-1-yl furan-2-carboxylate
    • prop-2-enyl furan-2-carboxylate
    • EINECS 224-128-3
    • NSC 18604
    • prop-2-en-1-yl furan-2-carboxylate
    • AI3-36008
    • 2-Furancarboxylic acid, 2-propen-1-yl ester
    • NSC-18604
    • 0X7Y34707N
    • DTXSID6063353
    • ALLYL 2-FUROATE [FHFI]
    • 2-Furancarboxylic acid, allyl ester
    • 2-Furoic acid, allyl ester (8CI)
    • 2-PROPENYL FURAN-2-CARBOXYLATE
    • 2-ALLYL FUROATE
    • UNII-0X7Y34707N
    • MFCD00016580
    • allylfuran-2-carboxylate
    • Allyl 2-furoate, >=98%
    • SCHEMBL1532489
    • CHEMBL2268884
    • DTXCID2040026
    • prop-2-enyl uran-2-carboxylate
    • CHEBI:173650
    • -Furancarboxylic acid, allyl ester
    • furan-2-carboxylic acid allyl ester
    • NSC18604
    • AKOS025243321
    • CS-W016304
    • FA70181
    • SB61281
    • AS-58462
    • DB-296960
    • NS00022173
    • 2-FURANCARBOXYLIC ACID 2-PROPENYL ESTER
    • D81778
    • Q27231223
    • 224-128-3

  • Applications

    Allyl furoate is commonly used as an aroma ingredient in perfumery, contributing fruity and floral notes and sometimes serving as a note modifier or fixative in fragrance formulas. In cosmetics and personal care, it can be formulated into fragrance blends for products such as creams, lotions, and shampoos. In household products, it may be used as a fragrance additive in air fresheners and cleaning formulations. In the flavor industry, it may be employed as an aroma component in certain flavor formulations. In industrial manufacturing, it can function as an intermediate in the synthesis of fragrance compounds or as a specialty ingredient in formulation work.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 368.39
    methanol 623.31
    isopropanol 211.2
    water 2.53
    ethyl acetate 281.07
    n-propanol 253.43
    acetone 468.03
    n-butanol 239.57
    acetonitrile 295.73
    DMF 841.7
    toluene 104.48
    isobutanol 176.61
    1,4-dioxane 337.24
    methyl acetate 363.16
    THF 442.78
    2-butanone 349.85
    n-pentanol 189.0
    sec-butanol 237.28
    n-hexane 10.1
    ethylene glycol 126.63
    NMP 552.78
    cyclohexane 25.9
    DMSO 679.42
    n-butyl acetate 212.6
    n-octanol 128.86
    chloroform 483.77
    n-propyl acetate 198.99
    acetic acid 508.65
    dichloromethane 553.59
    cyclohexanone 389.68
    propylene glycol 112.19
    isopropyl acetate 138.62
    DMAc 695.7
    2-ethoxyethanol 335.86
    isopentanol 206.69
    n-heptane 12.4
    ethyl formate 266.62
    1,2-dichloroethane 373.97
    n-hexanol 145.76
    2-methoxyethanol 539.63
    isobutyl acetate 109.23
    tetrachloromethane 39.0
    n-pentyl acetate 128.32
    transcutol 891.88
    n-heptanol 90.15
    ethylbenzene 80.06
    MIBK 155.61
    2-propoxyethanol 258.82
    tert-butanol 264.69
    MTBE 191.46
    2-butoxyethanol 177.84
    propionic acid 276.01
    o-xylene 93.59
    formic acid 258.28
    diethyl ether 169.42
    m-xylene 77.49
    p-xylene 107.3
    chlorobenzene 216.93
    dimethyl carbonate 153.34
    n-octane 9.31
    formamide 434.7
    cyclopentanone 383.21
    2-pentanone 232.01
    anisole 203.49
    cyclopentyl methyl ether 168.75
    gamma-butyrolactone 460.45
    1-methoxy-2-propanol 314.13
    pyridine 433.09
    3-pentanone 178.19
    furfural 548.75
    n-dodecane 12.74
    diethylene glycol 258.97
    diisopropyl ether 49.68
    tert-amyl alcohol 264.48
    acetylacetone 261.1
    n-hexadecane 14.17
    acetophenone 227.02
    methyl propionate 265.72
    isopentyl acetate 174.06
    trichloroethylene 722.58
    n-nonanol 106.84
    cyclohexanol 205.2
    benzyl alcohol 207.23
    2-ethylhexanol 103.47
    isooctanol 79.26
    dipropyl ether 86.54
    1,2-dichlorobenzene 192.96
    ethyl lactate 121.87
    propylene carbonate 271.01
    n-methylformamide 429.19
    2-pentanol 156.1
    n-pentane 12.82
    1-propoxy-2-propanol 176.35
    1-methoxy-2-propyl acetate 169.21
    2-(2-methoxypropoxy) propanol 203.2
    mesitylene 52.72
    ε-caprolactone 318.11
    p-cymene 55.98
    epichlorohydrin 534.82
    1,1,1-trichloroethane 225.09
    2-aminoethanol 197.25
    morpholine-4-carbaldehyde 488.83
    sulfolane 529.09
    2,2,4-trimethylpentane 14.72
    2-methyltetrahydrofuran 283.83
    n-hexyl acetate 209.76
    isooctane 10.27
    2-(2-butoxyethoxy)ethanol 279.81
    sec-butyl acetate 115.05
    tert-butyl acetate 152.36
    decalin 19.74
    glycerin 178.61
    diglyme 493.88
    acrylic acid 302.47
    isopropyl myristate 80.13
    n-butyric acid 299.31
    acetyl acetate 159.87
    di(2-ethylhexyl) phthalate 79.3
    ethyl propionate 159.46
    nitromethane 814.73
    1,2-diethoxyethane 225.0
    benzonitrile 253.34
    trioctyl phosphate 58.92
    1-bromopropane 163.73
    gamma-valerolactone 478.21
    n-decanol 82.65
    triethyl phosphate 78.96
    4-methyl-2-pentanol 93.27
    propionitrile 242.76
    vinylene carbonate 301.77
    1,1,2-trichlorotrifluoroethane 386.41
    DMS 172.51
    cumene 58.74
    2-octanol 74.66
    2-hexanone 187.8
    octyl acetate 105.52
    limonene 80.76
    1,2-dimethoxyethane 464.53
    ethyl orthosilicate 70.72
    tributyl phosphate 73.5
    diacetone alcohol 217.79
    N,N-dimethylaniline 147.14
    acrylonitrile 371.91
    aniline 191.56
    1,3-propanediol 256.23
    bromobenzene 197.83
    dibromomethane 328.86
    1,1,2,2-tetrachloroethane 487.74
    2-methyl-cyclohexyl acetate 119.46
    tetrabutyl urea 109.9
    diisobutyl methanol 68.31
    2-phenylethanol 156.01
    styrene 112.86
    dioctyl adipate 116.42
    dimethyl sulfate 220.45
    ethyl butyrate 141.65
    methyl lactate 166.77
    butyl lactate 110.77
    diethyl carbonate 111.45
    propanediol butyl ether 197.21
    triethyl orthoformate 96.87
    p-tert-butyltoluene 50.82
    methyl 4-tert-butylbenzoate 156.88
    morpholine 387.9
    tert-butylamine 150.32
    n-dodecanol 65.25
    dimethoxymethane 345.84
    ethylene carbonate 216.9
    cyrene 188.76
    2-ethoxyethyl acetate 172.18
    2-ethylhexyl acetate 128.92
    1,2,4-trichlorobenzene 230.31
    4-methylpyridine 364.8
    dibutyl ether 130.7
    2,6-dimethyl-4-heptanol 68.31
    DEF 366.4
    dimethyl isosorbide 255.62
    tetrachloroethylene 313.93
    eugenol 175.76
    triacetin 184.1
    span 80 142.69
    1,4-butanediol 125.14
    1,1-dichloroethane 320.43
    2-methyl-1-pentanol 175.82
    methyl formate 370.29
    2-methyl-1-butanol 195.72
    n-decane 18.03
    butyronitrile 235.41
    3,7-dimethyl-1-octanol 117.35
    1-chlorooctane 75.7
    1-chlorotetradecane 34.16
    n-nonane 16.19
    undecane 14.86
    tert-butylcyclohexane 17.43
    cyclooctane 9.53
    cyclopentanol 185.56
    tetrahydropyran 264.97
    tert-amyl methyl ether 165.19
    2,5,8-trioxanonane 362.35
    1-hexene 55.13
    2-isopropoxyethanol 212.45
    2,2,2-trifluoroethanol 154.19
    methyl butyrate 239.38

    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