1-Furfurylpyrrole

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1438-94-4

    Molecular formula
    C9H9NO

    SMILES
    C1=CN(C=C1)CC2=CC=CO2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 73.28%
    Green 66.56%
    Earthy 59.27%
    Mushroom 44.65%
    Burnt 44.36%
    Vegetable 43.09%
    Roasted 42.56%
    Coffee 40.82%
    Nutty 39.45%
    Musty 33.74%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    147.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 77.00 to 79.00 °C. @ 1.00 mm Hg

    Flash point est.
    89.38 ˚C

    Solubility expt.

    • Soluble (in ethanol)

  • Synonyms

    • 1-FURFURYLPYRROLE
    • 1438-94-4
    • N-Furfurylpyrrole
    • 1-(Furan-2-ylmethyl)-1H-pyrrole
    • 1H-Pyrrole, 1-(2-furanylmethyl)-
    • 1-(2-Furanylmethyl)-1H-pyrrole
    • N-Furfuryl pyrrole
    • 1-Furfuryl-1H-pyrrole
    • N-(2-Furfuryl)pyrrole
    • Pyrrole, 1-furfuryl-
    • 1-(furan-2-ylmethyl)pyrrole
    • 1-(2-Furfuryl)pyrrole
    • FEMA No. 3284
    • 1-(2-Furanmethyl)-1H-pyrrole
    • BRN 0118476
    • 1-(2-furylmethyl)pyrrole
    • 2-Furfurylpyrrole
    • EINECS 215-876-1
    • 1-furfuryl-pyrrole
    • 1-?Furfurylpyrrole
    • DTXSID5047663
    • 1-(2-FurfuryI)pyrrole
    • 1-(2-Furfuryl)-pyrrole
    • 15HF30X204
    • FURFURYLPYRROLE, N-
    • 1-(2-Furfuryl)-1H-pyrrole
    • 1H-Pyrrole, 1-(2-furfuryl)
    • DTXCID3027663
    • N-FURFURYL PYRROLE [FHFI]
    • 5-20-05-00033 (Beilstein Handbook Reference)
    • 2-(1-Pyrrolylmethyl)furan
    • 1-urfurylpyrrole
    • UNII-15HF30X204
    • 1-(2-Furylmethyl)-1H-pyrrole
    • MFCD00010080
    • 1-Furfurylpyrrole, 99%
    • 1-(uran-2-ylmethyl)pyrrole
    • 1-Furfurylpyrrole, >=98%
    • SCHEMBL1532637
    • CHEMBL3187231
    • FEMA 3284
    • CHEBI:168927
    • 1-Furfurylpyrrole, >=98%, FG
    • 1-(2-Furylmethyl)-1H-pyrrole #
    • Tox21_302604
    • s6107
    • 1-Furfurylpyrrole, analytical standard
    • AKOS008961820
    • FF35638
    • SB60947
    • NCGC00256860-01
    • AS-14383
    • CAS-1438-94-4
    • DB-042708
    • HY-128389
    • CS-0099518
    • F0700
    • NS00012486
    • D71000
    • 1-(2-furanylmethyl)-1H-pyrrole (furfurylpyrrole)
    • Q27251725
    • InChI=1/C9H9NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H
    • 215-876-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 309.25
    methanol 399.97
    isopropanol 181.6
    water 40.27
    ethyl acetate 71.88
    n-propanol 237.65
    acetone 138.48
    n-butanol 168.4
    acetonitrile 212.01
    DMF 436.03
    toluene 103.11
    isobutanol 164.77
    1,4-dioxane 265.13
    methyl acetate 108.06
    THF 243.45
    2-butanone 118.86
    n-pentanol 126.29
    sec-butanol 156.74
    n-hexane 10.87
    ethylene glycol 276.16
    NMP 203.14
    cyclohexane 35.02
    DMSO 477.58
    n-butyl acetate 37.97
    n-octanol 65.84
    chloroform 459.88
    n-propyl acetate 47.26
    acetic acid 225.89
    dichloromethane 451.92
    cyclohexanone 157.27
    propylene glycol 281.46
    isopropyl acetate 35.56
    DMAc 365.46
    2-ethoxyethanol 209.28
    isopentanol 107.56
    n-heptane 18.95
    ethyl formate 95.08
    1,2-dichloroethane 179.12
    n-hexanol 97.59
    2-methoxyethanol 360.97
    isobutyl acetate 34.71
    tetrachloromethane 58.17
    n-pentyl acetate 31.84
    transcutol 342.58
    n-heptanol 55.71
    ethylbenzene 50.57
    MIBK 46.87
    2-propoxyethanol 161.43
    tert-butanol 148.43
    MTBE 65.17
    2-butoxyethanol 103.58
    propionic acid 167.92
    o-xylene 78.69
    formic acid 179.57
    diethyl ether 75.18
    m-xylene 60.26
    p-xylene 68.58
    chlorobenzene 100.91
    dimethyl carbonate 62.38
    n-octane 7.88
    formamide 255.58
    cyclopentanone 165.7
    2-pentanone 72.73
    anisole 105.11
    cyclopentyl methyl ether 106.55
    gamma-butyrolactone 174.75
    1-methoxy-2-propanol 238.91
    pyridine 299.4
    3-pentanone 72.19
    furfural 227.5
    n-dodecane 8.86
    diethylene glycol 193.48
    diisopropyl ether 19.94
    tert-amyl alcohol 120.82
    acetylacetone 74.92
    n-hexadecane 9.54
    acetophenone 95.29
    methyl propionate 93.88
    isopentyl acetate 37.6
    trichloroethylene 317.29
    n-nonanol 59.36
    cyclohexanol 146.61
    benzyl alcohol 135.08
    2-ethylhexanol 56.63
    isooctanol 41.63
    dipropyl ether 61.74
    1,2-dichlorobenzene 90.42
    ethyl lactate 61.87
    propylene carbonate 96.23
    n-methylformamide 260.66
    2-pentanol 86.44
    n-pentane 15.33
    1-propoxy-2-propanol 112.31
    1-methoxy-2-propyl acetate 57.94
    2-(2-methoxypropoxy) propanol 108.66
    mesitylene 33.78
    ε-caprolactone 110.67
    p-cymene 35.89
    epichlorohydrin 223.06
    1,1,1-trichloroethane 125.85
    2-aminoethanol 356.73
    morpholine-4-carbaldehyde 253.26
    sulfolane 207.81
    2,2,4-trimethylpentane 10.25
    2-methyltetrahydrofuran 148.79
    n-hexyl acetate 52.9
    isooctane 6.2
    2-(2-butoxyethoxy)ethanol 138.35
    sec-butyl acetate 29.99
    tert-butyl acetate 34.99
    decalin 15.31
    glycerin 326.24
    diglyme 228.71
    acrylic acid 181.93
    isopropyl myristate 30.3
    n-butyric acid 136.76
    acetyl acetate 43.97
    di(2-ethylhexyl) phthalate 42.25
    ethyl propionate 49.58
    nitromethane 257.81
    1,2-diethoxyethane 73.39
    benzonitrile 124.04
    trioctyl phosphate 27.16
    1-bromopropane 105.68
    gamma-valerolactone 202.87
    n-decanol 47.97
    triethyl phosphate 34.1
    4-methyl-2-pentanol 44.65
    propionitrile 160.88
    vinylene carbonate 111.71
    1,1,2-trichlorotrifluoroethane 236.24
    DMS 51.94
    cumene 37.87
    2-octanol 34.84
    2-hexanone 54.93
    octyl acetate 39.4
    limonene 46.46
    1,2-dimethoxyethane 231.44
    ethyl orthosilicate 32.85
    tributyl phosphate 30.52
    diacetone alcohol 76.82
    N,N-dimethylaniline 93.22
    acrylonitrile 230.54
    aniline 158.47
    1,3-propanediol 241.26
    bromobenzene 95.8
    dibromomethane 260.12
    1,1,2,2-tetrachloroethane 261.62
    2-methyl-cyclohexyl acetate 46.48
    tetrabutyl urea 47.29
    diisobutyl methanol 32.94
    2-phenylethanol 87.67
    styrene 64.87
    dioctyl adipate 49.13
    dimethyl sulfate 96.42
    ethyl butyrate 46.63
    methyl lactate 102.79
    butyl lactate 50.26
    diethyl carbonate 39.74
    propanediol butyl ether 124.43
    triethyl orthoformate 40.98
    p-tert-butyltoluene 32.68
    methyl 4-tert-butylbenzoate 76.48
    morpholine 308.64
    tert-butylamine 101.5
    n-dodecanol 41.12
    dimethoxymethane 195.72
    ethylene carbonate 82.68
    cyrene 107.98
    2-ethoxyethyl acetate 47.51
    2-ethylhexyl acetate 30.39
    1,2,4-trichlorobenzene 113.8
    4-methylpyridine 195.45
    dibutyl ether 46.21
    2,6-dimethyl-4-heptanol 32.94
    DEF 132.0
    dimethyl isosorbide 119.28
    tetrachloroethylene 177.26
    eugenol 84.49
    triacetin 67.3
    span 80 98.49
    1,4-butanediol 148.66
    1,1-dichloroethane 161.43
    2-methyl-1-pentanol 88.8
    methyl formate 168.16
    2-methyl-1-butanol 121.91
    n-decane 11.93
    butyronitrile 138.47
    3,7-dimethyl-1-octanol 52.5
    1-chlorooctane 34.76
    1-chlorotetradecane 19.53
    n-nonane 10.68
    undecane 10.0
    tert-butylcyclohexane 12.38
    cyclooctane 11.16
    cyclopentanol 167.41
    tetrahydropyran 190.13
    tert-amyl methyl ether 58.48
    2,5,8-trioxanonane 188.71
    1-hexene 39.99
    2-isopropoxyethanol 119.09
    2,2,2-trifluoroethanol 98.54
    methyl butyrate 67.67

    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
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.02%
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.02%