Methyl pyrrole-2-carboxylate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1193-62-0

    Molecular formula
    C6H7NO2

    SMILES
    COC(=O)C1=CC=CN1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 45.69%
    Nutty 44.57%
    Burnt 36.27%
    Roasted 35.81%
    Caramellic 34.15%
    Musty 30.7%
    Grape 28.73%
    Sweet 28.13%
    Coffee 25.91%
    Winey 25.64%

     

    Flavor
    Fruity 55.0%
    Grape 36.83%
    Strawberry 29.78%
    Tobacco 28.63%
    Nutty 27.37%
    Herbal 26.7%
    Bitter 26.17%
    Musty 25.85%
    Sweet 25.33%
    Powdery 25.1%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    6.61 (neutral)

    Molecular weight
    125.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point

    • 120.18 ˚C est.

  • Synonyms

    • Methyl 1H-pyrrole-2-carboxylate
    • 1193-62-0
    • Methyl pyrrole-2-carboxylate
    • 1H-pyrrole-2-carboxylic acid, methyl ester
    • UNII-3BEG2CK3LU
    • 3BEG2CK3LU
    • NSC-48131
    • 1H-Pyrrole-2-carboxylic acid,methyl ester
    • DTXSID50152407
    • 2-(formic acid methyleester)pyrrole
    • NSC 48131
    • RefChem:158016
    • DTXCID5074898
    • Methyl 1H-pyrrole-2-carboxylic acid
    • 629-314-1
    • InChI=1/C6H7NO2/c1-9-6(8)5-3-2-4-7-5/h2-4,7H,1H
    • VONGYFFEWFJHNP-UHFFFAOYSA-N
    • Methyl 2-pyrrolecarboxylate
    • MFCD00817048
    • Methyl1H-pyrrole-2-carboxylate
    • Pyrrole-2-carboxylic Acid Methyl Ester
    • Pyrrole-2-carboxylic acid, methyl ester; 2-Methoxycarbonylpyrrole; Methyl 2-pyrrylcarboxylate; Methyl pyrrole-2-carboxylate; NSC 48131; a-Carbomethoxypyrrole
    • methyl-2-pyrrolecarboxylate
    • methylpyrrole-2-carboxylate
    • methyl 1h-pyrrolecarboxylate
    • methyl 2-pyrrole carboxylate
    • methyl pyrrole-2 carboxylate
    • methyl-2-pyrrole carboxylate
    • methyl pyrrole -2-carboxylate
    • SCHEMBL520445
    • orb3030114
    • SCHEMBL1907274
    • SCHEMBL2332813
    • SCHEMBL6198951
    • SCHEMBL7399944
    • methyl 1H-pyrrole-2-carboxlate
    • SCHEMBL11101219
    • methyl 1H-pyrrole -2-caboxylate
    • CHEBI:194949
    • Methyl 1 H-pyrrole-2-carboxylate
    • Methyl 2-pyrrolecarboxylate, 97%
    • ALBB-017977
    • Methyl 1H-pyrrole-2-carboxylate #
    • NSC48131
    • CL2801
    • SBB013762
    • STK785168
    • AKOS005071362
    • AC-7541
    • CS-W013518
    • FP57284
    • HY-W012802
    • SB63951
    • ST091691
    • SY001201
    • 1H-pyrrole-2-carboxylic acid methyl ester
    • DB-041468
    • M2160
    • NS00114055
    • EN300-98138
    • 8R-0284
    • F012688
    • Q27257004
    • Z98449444
    • 1193-62-0

  • Applications

    Methyl pyrrole-2-carboxylate is primarily used as an organic synthesis intermediate and building block for functionalized pyrrole compounds. In pharmaceutical and medicinal chemistry, it provides the pyrrole core for the preparation of heterocyclic drug candidates. In agrochemical research, it serves as a precursor to pyrrole-containing intermediates. It is also employed in dye and pigment chemistry as a starting point for pyrrole-based chromophores, and in polymer and materials science as a precursor to functionalized pyrrole units used in specialty coatings and conductive polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 335.52
    methanol 665.66
    isopropanol 193.03
    water 89.28
    ethyl acetate 86.0
    n-propanol 214.67
    acetone 240.74
    n-butanol 144.16
    acetonitrile 170.11
    DMF 580.95
    toluene 18.69
    isobutanol 147.55
    1,4-dioxane 237.36
    methyl acetate 129.38
    THF 225.23
    2-butanone 145.52
    n-pentanol 135.4
    sec-butanol 152.13
    n-hexane 4.57
    ethylene glycol 287.42
    NMP 353.13
    cyclohexane 4.07
    DMSO 725.77
    n-butyl acetate 53.24
    n-octanol 58.98
    chloroform 191.31
    n-propyl acetate 78.77
    acetic acid 395.54
    dichloromethane 252.47
    cyclohexanone 159.66
    propylene glycol 182.32
    isopropyl acetate 45.97
    DMAc 303.71
    2-ethoxyethanol 354.62
    isopentanol 111.75
    n-heptane 4.07
    ethyl formate 139.98
    1,2-dichloroethane 146.08
    n-hexanol 67.94
    2-methoxyethanol 521.25
    isobutyl acetate 43.14
    tetrachloromethane 25.02
    n-pentyl acetate 56.65
    transcutol 384.83
    n-heptanol 52.12
    ethylbenzene 18.96
    MIBK 65.48
    2-propoxyethanol 167.87
    tert-butanol 183.12
    MTBE 77.35
    2-butoxyethanol 128.47
    propionic acid 195.48
    o-xylene 21.99
    formic acid 527.87
    diethyl ether 68.27
    m-xylene 20.82
    p-xylene 28.52
    chlorobenzene 53.61
    dimethyl carbonate 68.01
    n-octane 3.41
    formamide 630.33
    cyclopentanone 211.41
    2-pentanone 96.72
    anisole 68.61
    cyclopentyl methyl ether 75.57
    gamma-butyrolactone 280.99
    1-methoxy-2-propanol 272.1
    pyridine 138.23
    3-pentanone 64.18
    furfural 309.8
    n-dodecane 3.5
    diethylene glycol 234.85
    diisopropyl ether 18.29
    tert-amyl alcohol 145.29
    acetylacetone 109.44
    n-hexadecane 3.83
    acetophenone 81.68
    methyl propionate 106.5
    isopentyl acetate 51.04
    trichloroethylene 271.18
    n-nonanol 49.24
    cyclohexanol 89.23
    benzyl alcohol 100.73
    2-ethylhexanol 39.43
    isooctanol 45.97
    dipropyl ether 27.8
    1,2-dichlorobenzene 60.9
    ethyl lactate 82.69
    propylene carbonate 129.57
    n-methylformamide 447.77
    2-pentanol 85.15
    n-pentane 4.91
    1-propoxy-2-propanol 97.78
    1-methoxy-2-propyl acetate 63.47
    2-(2-methoxypropoxy) propanol 102.12
    mesitylene 15.13
    ε-caprolactone 144.87
    p-cymene 16.01
    epichlorohydrin 306.55
    1,1,1-trichloroethane 72.46
    2-aminoethanol 315.32
    morpholine-4-carbaldehyde 344.72
    sulfolane 410.27
    2,2,4-trimethylpentane 5.24
    2-methyltetrahydrofuran 141.1
    n-hexyl acetate 78.2
    isooctane 4.07
    2-(2-butoxyethoxy)ethanol 147.53
    sec-butyl acetate 40.97
    tert-butyl acetate 57.11
    decalin 4.63
    glycerin 308.36
    diglyme 256.9
    acrylic acid 228.94
    isopropyl myristate 28.54
    n-butyric acid 159.95
    acetyl acetate 46.31
    di(2-ethylhexyl) phthalate 39.71
    ethyl propionate 56.63
    nitromethane 585.79
    1,2-diethoxyethane 82.09
    benzonitrile 100.72
    trioctyl phosphate 31.45
    1-bromopropane 56.01
    gamma-valerolactone 319.78
    n-decanol 37.08
    triethyl phosphate 30.72
    4-methyl-2-pentanol 53.58
    propionitrile 123.07
    vinylene carbonate 143.41
    1,1,2-trichlorotrifluoroethane 262.93
    DMS 68.04
    cumene 18.57
    2-octanol 41.87
    2-hexanone 83.73
    octyl acetate 40.67
    limonene 21.2
    1,2-dimethoxyethane 317.27
    ethyl orthosilicate 28.46
    tributyl phosphate 34.12
    diacetone alcohol 121.26
    N,N-dimethylaniline 60.17
    acrylonitrile 207.73
    aniline 64.59
    1,3-propanediol 315.64
    bromobenzene 40.67
    dibromomethane 124.26
    1,1,2,2-tetrachloroethane 185.38
    2-methyl-cyclohexyl acetate 43.28
    tetrabutyl urea 48.7
    diisobutyl methanol 26.17
    2-phenylethanol 66.19
    styrene 24.01
    dioctyl adipate 44.95
    dimethyl sulfate 144.8
    ethyl butyrate 43.07
    methyl lactate 110.55
    butyl lactate 66.61
    diethyl carbonate 33.26
    propanediol butyl ether 150.77
    triethyl orthoformate 33.54
    p-tert-butyltoluene 15.68
    methyl 4-tert-butylbenzoate 80.55
    morpholine 273.81
    tert-butylamine 84.04
    n-dodecanol 28.03
    dimethoxymethane 239.39
    ethylene carbonate 101.29
    cyrene 121.07
    2-ethoxyethyl acetate 81.42
    2-ethylhexyl acetate 37.02
    1,2,4-trichlorobenzene 77.05
    4-methylpyridine 117.99
    dibutyl ether 36.5
    2,6-dimethyl-4-heptanol 26.17
    DEF 151.32
    dimethyl isosorbide 131.02
    tetrachloroethylene 141.94
    eugenol 101.8
    triacetin 81.99
    span 80 81.06
    1,4-butanediol 184.35
    1,1-dichloroethane 105.37
    2-methyl-1-pentanol 105.25
    methyl formate 344.6
    2-methyl-1-butanol 111.45
    n-decane 5.43
    butyronitrile 109.15
    3,7-dimethyl-1-octanol 47.5
    1-chlorooctane 25.02
    1-chlorotetradecane 10.52
    n-nonane 5.01
    undecane 4.26
    tert-butylcyclohexane 5.5
    cyclooctane 2.24
    cyclopentanol 123.75
    tetrahydropyran 110.78
    tert-amyl methyl ether 61.35
    2,5,8-trioxanonane 167.91
    1-hexene 19.77
    2-isopropoxyethanol 189.05
    2,2,2-trifluoroethanol 184.49
    methyl butyrate 96.51

    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