2-Propenylfuran

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    10599-55-0

    Molecular formula
    C7H8O

    SMILES
    C/C=C/C1=CC=CO1

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Spicy 68.57%
    Sweet 62.65%
    Nutty 55.25%
    Green 52.9%
    Pungent 43.15%
    Fruity 42.78%
    Herbal 39.94%
    Ethereal 39.49%
    Almond 36.64%
    Anisic 36.1%

     

    Flavor
    Green 52.05%
    Nutty 35.11%
    Woody 33.91%
    Spicy 31.12%
    Spice 30.21%
    Sweet 26.07%
    Almond 26.01%
    Phenolic 22.8%
    Herbal 21.73%
    Cocoa 21.62%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.38 (neutral)

    Molecular weight
    108.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    139°C

    Flash point

    • 21.56 ˚C est.

  • Synonyms

    • 2-(Prop-1-en-1-yl)furan
    • 2-propenylfuran
    • 10599-55-0
    • 2-prop-1-enylfuran
    • SCHEMBL629218
    • SCHEMBL2167348
    • 805-390-3

  • Applications

    2-Propenylfuran (allylfuran, CAS 10599-55-0) is a versatile research building block that leverages the dual reactivity of the furan ring (electron-rich diene for Diels-Alder and electrophilic substitution) and the allyl side chain (amenable to epoxidation, hydroboration-oxidation, ozonolysis, selective Wacker/oxidations, and cross-metathesis), enabling its use as an intermediate to access substituted furans, dihydrofurans/benzofurans, and other heterocyclic scaffolds; in materials science it serves as a functional monomer/coupling unit—its allyl group allows free-radical and thiol-ene curing while the furan nucleus provides reversible Diels-Alder junctions with maleimides to build self-healing, reprocessable polymer networks, or to graft furan functionality onto silicones, polyurethanes, and surfaces via hydrosilylation/further modification; in medicinal and agrochemical discovery it is employed as a precursor/anchoring motif to diversify furan-containing libraries for SAR studies; and in food/analytical science it is used as a GC-MS reference/internal standard and as a model aroma component in thermal-processing studies to monitor formation pathways of furanic volatiles; these applications are typically limited to research use and do not imply approval for direct use in foods, drugs, or cosmetics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1318.93
    methanol 1265.64
    isopropanol 1117.81
    water 4.29
    ethyl acetate 1027.26
    n-propanol 1132.16
    acetone 1956.57
    n-butanol 1042.47
    acetonitrile 1381.62
    DMF 2172.2
    toluene 614.37
    isobutanol 932.2
    1,4-dioxane 2226.43
    methyl acetate 1055.24
    THF 2679.15
    2-butanone 1299.72
    n-pentanol 792.6
    sec-butanol 1042.33
    n-hexane 477.03
    ethylene glycol 440.98
    NMP 2073.3
    cyclohexane 506.12
    DMSO 2952.71
    n-butyl acetate 662.98
    n-octanol 660.18
    chloroform 2705.67
    n-propyl acetate 646.51
    acetic acid 1177.49
    dichloromethane 2449.09
    cyclohexanone 1657.87
    propylene glycol 580.65
    isopropyl acetate 583.6
    DMAc 1367.26
    2-ethoxyethanol 856.32
    isopentanol 861.97
    n-heptane 284.07
    ethyl formate 597.09
    1,2-dichloroethane 1505.35
    n-hexanol 974.47
    2-methoxyethanol 1353.26
    isobutyl acetate 448.0
    tetrachloromethane 562.93
    n-pentyl acetate 483.32
    transcutol 2315.52
    n-heptanol 443.99
    ethylbenzene 368.67
    MIBK 705.67
    2-propoxyethanol 1191.91
    tert-butanol 1365.43
    MTBE 1169.48
    2-butoxyethanol 625.25
    propionic acid 1050.7
    o-xylene 407.38
    formic acid 263.74
    diethyl ether 1326.65
    m-xylene 442.43
    p-xylene 445.43
    chlorobenzene 849.74
    dimethyl carbonate 525.94
    n-octane 134.19
    formamide 374.47
    cyclopentanone 1990.98
    2-pentanone 1219.56
    anisole 746.92
    cyclopentyl methyl ether 1337.25
    gamma-butyrolactone 1805.32
    1-methoxy-2-propanol 1216.56
    pyridine 1371.69
    3-pentanone 879.72
    furfural 1264.51
    n-dodecane 127.28
    diethylene glycol 940.2
    diisopropyl ether 441.8
    tert-amyl alcohol 1102.12
    acetylacetone 1074.27
    n-hexadecane 139.08
    acetophenone 587.11
    methyl propionate 945.36
    isopentyl acetate 574.65
    trichloroethylene 2266.39
    n-nonanol 521.17
    cyclohexanol 998.99
    benzyl alcohol 521.26
    2-ethylhexanol 556.06
    isooctanol 370.4
    dipropyl ether 710.02
    1,2-dichlorobenzene 712.37
    ethyl lactate 364.7
    propylene carbonate 961.51
    n-methylformamide 880.61
    2-pentanol 826.01
    n-pentane 403.55
    1-propoxy-2-propanol 837.26
    1-methoxy-2-propyl acetate 602.88
    2-(2-methoxypropoxy) propanol 683.56
    mesitylene 301.3
    ε-caprolactone 1216.71
    p-cymene 247.85
    epichlorohydrin 1911.79
    1,1,1-trichloroethane 1553.98
    2-aminoethanol 725.12
    morpholine-4-carbaldehyde 1566.86
    sulfolane 2666.62
    2,2,4-trimethylpentane 180.1
    2-methyltetrahydrofuran 1921.39
    n-hexyl acetate 903.52
    isooctane 160.93
    2-(2-butoxyethoxy)ethanol 921.61
    sec-butyl acetate 425.68
    tert-butyl acetate 677.66
    decalin 231.55
    glycerin 687.62
    diglyme 1451.27
    acrylic acid 883.7
    isopropyl myristate 398.2
    n-butyric acid 1145.11
    acetyl acetate 579.44
    di(2-ethylhexyl) phthalate 321.16
    ethyl propionate 600.19
    nitromethane 1670.54
    1,2-diethoxyethane 802.37
    benzonitrile 691.49
    trioctyl phosphate 260.73
    1-bromopropane 1270.45
    gamma-valerolactone 1650.37
    n-decanol 405.23
    triethyl phosphate 251.38
    4-methyl-2-pentanol 446.78
    propionitrile 1010.94
    vinylene carbonate 806.79
    1,1,2-trichlorotrifluoroethane 1163.25
    DMS 594.78
    cumene 275.83
    2-octanol 395.82
    2-hexanone 837.25
    octyl acetate 499.82
    limonene 399.03
    1,2-dimethoxyethane 1457.55
    ethyl orthosilicate 249.29
    tributyl phosphate 292.8
    diacetone alcohol 790.03
    N,N-dimethylaniline 546.89
    acrylonitrile 1131.21
    aniline 713.28
    1,3-propanediol 775.8
    bromobenzene 984.22
    dibromomethane 1884.81
    1,1,2,2-tetrachloroethane 1892.42
    2-methyl-cyclohexyl acetate 442.45
    tetrabutyl urea 412.31
    diisobutyl methanol 314.43
    2-phenylethanol 529.9
    styrene 500.0
    dioctyl adipate 492.57
    dimethyl sulfate 849.23
    ethyl butyrate 491.09
    methyl lactate 526.29
    butyl lactate 387.87
    diethyl carbonate 331.28
    propanediol butyl ether 734.86
    triethyl orthoformate 326.53
    p-tert-butyltoluene 242.64
    methyl 4-tert-butylbenzoate 591.74
    morpholine 2044.58
    tert-butylamine 970.76
    n-dodecanol 332.68
    dimethoxymethane 1289.09
    ethylene carbonate 651.96
    cyrene 602.84
    2-ethoxyethyl acetate 544.61
    2-ethylhexyl acetate 441.69
    1,2,4-trichlorobenzene 822.78
    4-methylpyridine 1226.39
    dibutyl ether 721.12
    2,6-dimethyl-4-heptanol 314.43
    DEF 1200.64
    dimethyl isosorbide 919.69
    tetrachloroethylene 1158.98
    eugenol 578.33
    triacetin 685.37
    span 80 657.48
    1,4-butanediol 443.43
    1,1-dichloroethane 1673.06
    2-methyl-1-pentanol 677.43
    methyl formate 682.74
    2-methyl-1-butanol 872.12
    n-decane 186.15
    butyronitrile 1003.63
    3,7-dimethyl-1-octanol 540.64
    1-chlorooctane 562.03
    1-chlorotetradecane 240.57
    n-nonane 207.41
    undecane 149.41
    tert-butylcyclohexane 230.75
    cyclooctane 201.38
    cyclopentanol 1213.49
    tetrahydropyran 2008.53
    tert-amyl methyl ether 831.42
    2,5,8-trioxanonane 1081.02
    1-hexene 917.89
    2-isopropoxyethanol 662.88
    2,2,2-trifluoroethanol 342.68
    methyl butyrate 789.21

    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

Botanical

Name CAS Botanical Proportion
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%