1-Ethyl-2-pyrrolecarboxaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    2167-14-8

    Molecular formula
    C7H9NO

    SMILES
    CCN1C=CC=C1C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 68.17%
    Nutty 58.85%
    Burnt 48.2%
    Popcorn 44.75%
    Hazelnut 35.62%
    Coffee 35.04%
    Meaty 33.4%
    Caramellic 31.56%
    Musty 30.05%
    Potato 29.14%

     

    Flavor
    Nutty 46.36%
    Oily 32.04%
    Musty 30.51%
    Popcorn 29.61%
    Bitter 27.26%
    Roasted 27.11%
    Fatty 26.77%
    Woody 26.59%
    Roast 26.44%
    Almond 26.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    5.33 (weak acid)

    Molecular weight
    123.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 204.00 to 206.00 °C. @ 760.00 mm Hg

    Flash point

    • 80.53 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 1-Ethyl-1H-pyrrole-2-carbaldehyde
    • 2167-14-8
    • 1-ethylpyrrole-2-carbaldehyde
    • 1H-Pyrrole-2-carboxaldehyde, 1-ethyl-
    • 1-Ethyl-1H-pyrrole-2-carboxaldehyde
    • 1-Ethyl-2-formylpyrrole
    • Tea pyrrole
    • 1-Ethyl-2-pyrrolecarboxaldehyde
    • 1-Ethylpyrrole-2-aldehyde
    • UNII-51J1CE738Y
    • 1-Ethyl-2-formyl-1H-pyrrole
    • FEMA No. 4317
    • N-ETHYL-2-FORMYLPYRROLE
    • N-Ethylpyrrole-2-carboxaldehyde
    • 51J1CE738Y
    • Pyrrole-2-carboxaldehyde, 1-ethyl-
    • 1-Ethyl-1H-pyrrole-2-carboxyaldehyde
    • DTXSID80176055
    • 1-ETHYLPYRROLE-2-CARBOXALDEHYDE
    • 1-ETHYL-2-PYRROLECARBOXALDEHYDE [FHFI]
    • MFCD11909543
    • 1-ethyl-2-formyl pyrrole
    • 1-ethyl pyrrole-2-aldehyde
    • SCHEMBL5403668
    • DTXCID6098546
    • 1-ethyl pyrrole-2-carboxaldehyde
    • 1-ethyl-2-pyrrole carboxaldehyde
    • CHEBI:173336
    • 1-Ethyl-1H-pyrrole-2-carbaldehyde #
    • AKOS000113863
    • CS-W004653
    • SB62297
    • BS-28117
    • DA-43232
    • E1416
    • NS00121172
    • EN300-96449
    • D77671
    • Q27260900
    • F8882-1823
    • Z425487130
    • 639-017-9

  • Applications

    1-Ethyl-2-pyrrolecarboxaldehyde (CAS 2167-14-8) is typically used as a versatile synthetic building block in organic chemistry, enabling the construction of substituted pyrrole frameworks for pharmaceutical and agrochemical research; in perfumery and flavor chemistry, it may serve as an odorant precursor or fragrance intermediate for pyrrole-containing aroma molecules; in polymer and dye chemistry, it can act as a precursor to pyrrole-containing materials and dyes, including potential use in conductive polymers; it is often evaluated as an intermediate in pharmaceutical synthesis and in the development of heterocyclic compound libraries; usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 136.49
    methanol 263.98
    isopropanol 68.9
    water 15.89
    ethyl acetate 81.26
    n-propanol 103.68
    acetone 109.65
    n-butanol 90.59
    acetonitrile 147.64
    DMF 249.44
    toluene 60.79
    isobutanol 67.93
    1,4-dioxane 227.37
    methyl acetate 93.02
    THF 170.93
    2-butanone 81.41
    n-pentanol 61.13
    sec-butanol 50.52
    n-hexane 6.53
    ethylene glycol 109.26
    NMP 213.9
    cyclohexane 17.33
    DMSO 397.55
    n-butyl acetate 74.0
    n-octanol 23.89
    chloroform 476.11
    n-propyl acetate 46.3
    acetic acid 188.55
    dichloromethane 605.43
    cyclohexanone 158.9
    propylene glycol 49.53
    isopropyl acetate 39.57
    DMAc 139.76
    2-ethoxyethanol 115.23
    isopentanol 70.67
    n-heptane 7.04
    ethyl formate 89.71
    1,2-dichloroethane 361.63
    n-hexanol 67.92
    2-methoxyethanol 221.04
    isobutyl acetate 33.59
    tetrachloromethane 87.3
    n-pentyl acetate 37.2
    transcutol 340.82
    n-heptanol 26.72
    ethylbenzene 26.42
    MIBK 40.84
    2-propoxyethanol 128.85
    tert-butanol 85.0
    MTBE 53.24
    2-butoxyethanol 60.23
    propionic acid 107.74
    o-xylene 42.39
    formic acid 206.12
    diethyl ether 72.52
    m-xylene 39.31
    p-xylene 35.81
    chlorobenzene 150.83
    dimethyl carbonate 44.69
    n-octane 3.24
    formamide 233.22
    cyclopentanone 147.66
    2-pentanone 59.09
    anisole 68.45
    cyclopentyl methyl ether 73.03
    gamma-butyrolactone 239.61
    1-methoxy-2-propanol 101.73
    pyridine 216.0
    3-pentanone 55.84
    furfural 287.95
    n-dodecane 3.33
    diethylene glycol 161.83
    diisopropyl ether 18.37
    tert-amyl alcohol 58.87
    acetylacetone 86.0
    n-hexadecane 3.79
    acetophenone 64.87
    methyl propionate 71.24
    isopentyl acetate 66.0
    trichloroethylene 539.85
    n-nonanol 22.22
    cyclohexanol 74.78
    benzyl alcohol 66.52
    2-ethylhexanol 40.08
    isooctanol 23.06
    dipropyl ether 38.45
    1,2-dichlorobenzene 140.83
    ethyl lactate 37.15
    propylene carbonate 122.4
    n-methylformamide 179.37
    2-pentanol 41.58
    n-pentane 8.05
    1-propoxy-2-propanol 72.9
    1-methoxy-2-propyl acetate 73.49
    2-(2-methoxypropoxy) propanol 75.32
    mesitylene 28.42
    ε-caprolactone 129.32
    p-cymene 26.4
    epichlorohydrin 284.55
    1,1,1-trichloroethane 226.81
    2-aminoethanol 117.12
    morpholine-4-carbaldehyde 218.9
    sulfolane 297.19
    2,2,4-trimethylpentane 6.36
    2-methyltetrahydrofuran 120.19
    n-hexyl acetate 48.63
    isooctane 4.76
    2-(2-butoxyethoxy)ethanol 95.59
    sec-butyl acetate 31.22
    tert-butyl acetate 46.18
    decalin 10.01
    glycerin 104.16
    diglyme 176.8
    acrylic acid 132.36
    isopropyl myristate 24.27
    n-butyric acid 120.76
    acetyl acetate 60.21
    di(2-ethylhexyl) phthalate 35.13
    ethyl propionate 46.17
    nitromethane 276.27
    1,2-diethoxyethane 90.22
    benzonitrile 103.39
    trioctyl phosphate 21.76
    1-bromopropane 128.07
    gamma-valerolactone 229.27
    n-decanol 18.36
    triethyl phosphate 37.18
    4-methyl-2-pentanol 29.03
    propionitrile 106.94
    vinylene carbonate 142.55
    1,1,2-trichlorotrifluoroethane 210.68
    DMS 67.72
    cumene 24.08
    2-octanol 17.78
    2-hexanone 46.82
    octyl acetate 28.81
    limonene 36.96
    1,2-dimethoxyethane 162.99
    ethyl orthosilicate 33.65
    tributyl phosphate 29.75
    diacetone alcohol 65.52
    N,N-dimethylaniline 49.66
    acrylonitrile 167.93
    aniline 101.34
    1,3-propanediol 126.9
    bromobenzene 157.68
    dibromomethane 351.6
    1,1,2,2-tetrachloroethane 338.01
    2-methyl-cyclohexyl acetate 50.23
    tetrabutyl urea 39.31
    diisobutyl methanol 26.56
    2-phenylethanol 70.46
    styrene 38.04
    dioctyl adipate 40.88
    dimethyl sulfate 89.17
    ethyl butyrate 52.4
    methyl lactate 53.3
    butyl lactate 36.32
    diethyl carbonate 47.23
    propanediol butyl ether 50.48
    triethyl orthoformate 41.56
    p-tert-butyltoluene 24.41
    methyl 4-tert-butylbenzoate 57.58
    morpholine 204.6
    tert-butylamine 59.66
    n-dodecanol 15.88
    dimethoxymethane 129.37
    ethylene carbonate 107.8
    cyrene 76.63
    2-ethoxyethyl acetate 66.74
    2-ethylhexyl acetate 53.11
    1,2,4-trichlorobenzene 155.46
    4-methylpyridine 140.75
    dibutyl ether 31.24
    2,6-dimethyl-4-heptanol 26.56
    DEF 85.2
    dimethyl isosorbide 131.71
    tetrachloroethylene 276.51
    eugenol 66.91
    triacetin 57.53
    span 80 55.91
    1,4-butanediol 59.25
    1,1-dichloroethane 228.1
    2-methyl-1-pentanol 52.46
    methyl formate 136.21
    2-methyl-1-butanol 62.97
    n-decane 4.6
    butyronitrile 91.93
    3,7-dimethyl-1-octanol 30.18
    1-chlorooctane 21.01
    1-chlorotetradecane 10.54
    n-nonane 4.21
    undecane 3.82
    tert-butylcyclohexane 8.89
    cyclooctane 5.3
    cyclopentanol 78.18
    tetrahydropyran 132.19
    tert-amyl methyl ether 40.16
    2,5,8-trioxanonane 137.72
    1-hexene 23.35
    2-isopropoxyethanol 65.64
    2,2,2-trifluoroethanol 101.36
    methyl butyrate 64.24

    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
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.2%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.05%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.05%