2-Propylfuran

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  • Identifiers

    CAS number
    4229-91-8

    Molecular formula
    C7H10O

    SMILES
    CCCC1=CC=CO1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • Carbowax: 1083.0

  • Odor profile

    Ethereal 72.51%
    Sweet 57.83%
    Green 57.64%
    Burnt 56.43%
    Nutty 52.93%
    Musty 42.67%
    Roasted 41.97%
    Gassy 40.14%
    Solvent 37.24%
    Coffee 36.97%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.6 (neutral)

    Molecular weight
    110.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 113.00 to 115.00 °C. @ 760.00 mm Hg

    Flash point est.
    18.51 ˚C

  • Synonyms

    • 2-Propylfuran
    • 4229-91-8
    • 2-n-Propylfuran
    • Furan, 2-propyl-
    • 2-Propyl-Furan
    • Furan, .alpha.-propyl-
    • EINECS 224-182-8
    • AI3-26552
    • CPLJMYOQYRCCBY-UHFFFAOYSA-
    • DTXSID00195122
    • NSC 35553
    • NSC-35553
    • 2-PROPYL FURAN
    • 2-n-PROPYL FURAN
    • 2nPropylfuran
    • 2-propyluran
    • alpha-Propylfuran
    • Furan, 2propyl
    • NSC35553
    • MFCD00047070
    • Furan, alpha-propyl-
    • Furan, alpha -propyl-
    • SCHEMBL414949
    • 592DXD68ZG
    • DTXCID10117613
    • CHEBI:192300
    • AKOS025396850
    • LS-13293
    • CS-0169289
    • NS00022178
    • P1488
    • D92136
    • Q63392388
    • 224-182-8

  • Applications

    2-Propylfuran (CAS 4229-91-8) is used primarily as a flavor/fragrance ingredient or precursor to impart roasted, nutty, caramel and coffee-like notes in flavor creation and Maillard model systems; as an analytical standard for GC/GC‑MS to quantify alkylfurans in foods, beverages, essential oils and thermal decomposition emissions, and as a marker for heat processing and shelf‑life aroma changes; as a versatile synthetic intermediate that undergoes electrophilic substitution, halogenation followed by cross‑coupling at C‑5, Diels–Alder reactions with maleimides, and oxidation/hydrogenation to give 2‑propyltetrahydrofuran or 1,4‑dicarbonyls, thereby serving in pharma/agro lead design where furan scaffolds tune volatility and lipophilicity; as a probe molecule in catalytic studies (hydrodeoxygenation, selective oxidation, ring closure/opening) relevant to bio‑oil upgrading; and as a monofunctional “model” furan in reversible furan–maleimide materials to study self‑healing behavior, minimize undesired crosslinking, and optimize curing profiles.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2111.34
    methanol 2317.9
    isopropanol 1567.37
    water 2.9
    ethyl acetate 1205.45
    n-propanol 1647.28
    acetone 2269.44
    n-butanol 1539.33
    acetonitrile 1826.44
    DMF 2131.33
    toluene 738.85
    isobutanol 1310.75
    1,4-dioxane 2542.85
    methyl acetate 1179.91
    THF 3015.91
    2-butanone 1519.69
    n-pentanol 1109.91
    sec-butanol 1351.72
    n-hexane 616.77
    ethylene glycol 489.71
    NMP 2035.33
    cyclohexane 555.33
    DMSO 2953.51
    n-butyl acetate 1112.8
    n-octanol 869.35
    chloroform 4311.91
    n-propyl acetate 870.31
    acetic acid 1573.43
    dichloromethane 3986.12
    cyclohexanone 2042.74
    propylene glycol 662.41
    isopropyl acetate 719.94
    DMAc 1342.13
    2-ethoxyethanol 1053.08
    isopentanol 1222.64
    n-heptane 349.76
    ethyl formate 776.02
    1,2-dichloroethane 2067.48
    n-hexanol 1525.0
    2-methoxyethanol 1670.72
    isobutyl acetate 611.49
    tetrachloromethane 793.95
    n-pentyl acetate 677.22
    transcutol 3138.69
    n-heptanol 609.38
    ethylbenzene 424.47
    MIBK 786.12
    2-propoxyethanol 1655.88
    tert-butanol 1740.23
    MTBE 1445.74
    2-butoxyethanol 810.24
    propionic acid 1310.94
    o-xylene 448.98
    formic acid 381.19
    diethyl ether 1565.24
    m-xylene 482.17
    p-xylene 547.14
    chlorobenzene 1209.79
    dimethyl carbonate 442.89
    n-octane 148.19
    formamide 437.24
    cyclopentanone 2164.47
    2-pentanone 1300.93
    anisole 814.67
    cyclopentyl methyl ether 1400.02
    gamma-butyrolactone 2089.8
    1-methoxy-2-propanol 1311.36
    pyridine 1823.83
    3-pentanone 917.96
    furfural 1560.85
    n-dodecane 135.17
    diethylene glycol 1118.37
    diisopropyl ether 491.49
    tert-amyl alcohol 1300.31
    acetylacetone 1174.95
    n-hexadecane 147.81
    acetophenone 691.72
    methyl propionate 972.62
    isopentyl acetate 915.08
    trichloroethylene 3355.5
    n-nonanol 681.96
    cyclohexanol 1264.12
    benzyl alcohol 651.35
    2-ethylhexanol 789.93
    isooctanol 495.38
    dipropyl ether 975.43
    1,2-dichlorobenzene 1018.86
    ethyl lactate 387.36
    propylene carbonate 1112.3
    n-methylformamide 964.64
    2-pentanol 1051.98
    n-pentane 453.24
    1-propoxy-2-propanol 1167.28
    1-methoxy-2-propyl acetate 791.28
    2-(2-methoxypropoxy) propanol 832.06
    mesitylene 339.61
    ε-caprolactone 1491.3
    p-cymene 302.28
    epichlorohydrin 2288.49
    1,1,1-trichloroethane 2067.29
    2-aminoethanol 883.54
    morpholine-4-carbaldehyde 1685.34
    sulfolane 2722.78
    2,2,4-trimethylpentane 202.13
    2-methyltetrahydrofuran 2197.61
    n-hexyl acetate 1172.1
    isooctane 179.35
    2-(2-butoxyethoxy)ethanol 1128.41
    sec-butyl acetate 540.63
    tert-butyl acetate 802.42
    decalin 260.05
    glycerin 743.91
    diglyme 1739.72
    acrylic acid 1063.09
    isopropyl myristate 462.65
    n-butyric acid 1620.85
    acetyl acetate 690.83
    di(2-ethylhexyl) phthalate 407.3
    ethyl propionate 682.62
    nitromethane 1853.89
    1,2-diethoxyethane 1130.34
    benzonitrile 1046.4
    trioctyl phosphate 312.7
    1-bromopropane 1694.83
    gamma-valerolactone 1933.84
    n-decanol 500.47
    triethyl phosphate 291.65
    4-methyl-2-pentanol 565.42
    propionitrile 1438.13
    vinylene carbonate 966.73
    1,1,2-trichlorotrifluoroethane 1399.96
    DMS 678.5
    cumene 327.98
    2-octanol 522.07
    2-hexanone 1069.86
    octyl acetate 577.32
    limonene 517.18
    1,2-dimethoxyethane 1782.76
    ethyl orthosilicate 294.85
    tributyl phosphate 373.41
    diacetone alcohol 854.89
    N,N-dimethylaniline 583.42
    acrylonitrile 1499.9
    aniline 902.31
    1,3-propanediol 1029.07
    bromobenzene 1412.4
    dibromomethane 2874.68
    1,1,2,2-tetrachloroethane 2668.53
    2-methyl-cyclohexyl acetate 551.49
    tetrabutyl urea 505.65
    diisobutyl methanol 406.98
    2-phenylethanol 709.01
    styrene 611.16
    dioctyl adipate 586.57
    dimethyl sulfate 717.19
    ethyl butyrate 666.24
    methyl lactate 518.69
    butyl lactate 523.46
    diethyl carbonate 414.01
    propanediol butyl ether 934.9
    triethyl orthoformate 430.89
    p-tert-butyltoluene 292.55
    methyl 4-tert-butylbenzoate 673.95
    morpholine 2495.22
    tert-butylamine 1278.82
    n-dodecanol 394.93
    dimethoxymethane 1222.36
    ethylene carbonate 827.59
    cyrene 649.49
    2-ethoxyethyl acetate 731.15
    2-ethylhexyl acetate 689.58
    1,2,4-trichlorobenzene 1118.64
    4-methylpyridine 1644.32
    dibutyl ether 962.93
    2,6-dimethyl-4-heptanol 406.98
    DEF 1334.68
    dimethyl isosorbide 1102.05
    tetrachloroethylene 1682.61
    eugenol 680.74
    triacetin 809.76
    span 80 820.06
    1,4-butanediol 550.31
    1,1-dichloroethane 2292.9
    2-methyl-1-pentanol 965.2
    methyl formate 735.6
    2-methyl-1-butanol 1217.79
    n-decane 210.69
    butyronitrile 1495.45
    3,7-dimethyl-1-octanol 711.04
    1-chlorooctane 692.99
    1-chlorotetradecane 267.03
    n-nonane 229.02
    undecane 162.06
    tert-butylcyclohexane 271.15
    cyclooctane 198.78
    cyclopentanol 1433.45
    tetrahydropyran 2400.38
    tert-amyl methyl ether 947.03
    2,5,8-trioxanonane 1237.29
    1-hexene 1248.71
    2-isopropoxyethanol 806.44
    2,2,2-trifluoroethanol 375.32
    methyl butyrate 971.49

    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
Santolina chamaecyparisus (France) 2 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.5%
Bacuri fruit (Brazil) Platonia insignis M., fam. Guttiferae 0.05%
Genipap fruit (Brazil) Genipa americana L., fam. Rubiaceae 2.5%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%