1-Methyl-1H-pyrrole-2-carboxaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1192-58-1

    Molecular formula
    C6H7NO

    SMILES
    CN1C=CC=C1C=O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1616.0

  • Odor profile

    Nutty 65.08%
    Roasted 63.89%
    Burnt 52.28%
    Almond 42.86%
    Popcorn 41.34%
    Coffee 39.27%
    Musty 34.97%
    Caramellic 34.86%
    Hazelnut 33.33%
    Bitter 31.26%

    Scent© AI

  • Properties

    XLogP3-AA
    0.5

    Molecular weight
    109.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 87.00 to 90.00 °C. @ 22.00 mm Hg

    Flash point est.
    67.75 ˚C

    Solubility expt.

    • Soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 1192-58-1
    • 1-Methyl-1H-pyrrole-2-carbaldehyde
    • 1-Methylpyrrole-2-carboxaldehyde
    • N-Methylpyrrole-2-carboxaldehyde
    • 1-Methylpyrrole-2-carbaldehyde
    • N-Methyl-2-pyrrolecarboxaldehyde
    • 1-Methyl-2-pyrrolecarboxaldehyde
    • 1H-Pyrrole-2-carboxaldehyde, 1-methyl-
    • 1-Methyl-1H-pyrrole-2-carboxaldehyde
    • 2-Formyl-1-methylpyrrole
    • UNII-M0HYH3D7SX
    • 1-Methyl-2-formylpyrrole
    • M0HYH3D7SX
    • EINECS 214-755-0
    • MFCD00003087
    • NSC 72386
    • N-methylpyrrole-2-carbaldehyde
    • BRN 0107811
    • 1-Methylformylpyrrole
    • NSC-72386
    • 1-Methyl-2-pyrrolaldehyde
    • N-Methylpyrrole-2-aldehyde
    • FEMA NO. 4332
    • N-METHYL-2-FORMYLPYRROLE
    • 1-methylpyrrole-2-carboxyaldehyde
    • DTXSID20152338
    • 1-methyl pyrrole-2-carboxaldehyde
    • 1-Methyl-Pyrrole-2-carboxaldehyde
    • N-Methylpyrrole-2-carboxy aldehyde
    • 5-21-07-00177 (Beilstein Handbook Reference)
    • Pyrrole-2-carboxaldehyde, 1-methyl-
    • 1-METHYL-1H-PYRROLE-2-CARBOXALDEHYDE [FHFI]
    • 1H-Pyrrolecarboxaldehyde, 1-methyl-
    • 1-Methylpyrrole-2-aldehyde
    • 1-methylpyrrol-2-carbaldehyde
    • NSC72386
    • 1-methyl-2-formyl pyrrole
    • 2-formyl-1-methyl pyrrole
    • WLN: T5NJ A1 BVH
    • SCHEMBL260478
    • 1methyl-2-pyrrolecarboxaldehyde
    • N-methylpyrrol-2-carboxaldehyde
    • 1-methyl pyrrole-2-carbaldehyde
    • CHEMBL2229659
    • DTXCID2074829
    • methyl-1H-pyrrole-2-carbaldehyde
    • CHEBI:193607
    • 1-methyl-1H-pyrrol-2-carbaldehyde
    • BBL001423
    • STK802640
    • 1-methyl-1h-pyrrole-2-carboxyaldehyde
    • AKOS000113751
    • CS-W021362
    • DS-1305
    • SB62009
    • N-Methyl-2-pyrrolecarboxaldehyde, 98%
    • SY011360
    • M1119
    • NS00021555
    • EN300-20969
    • P15926
    • N-Methyl-2-pyrrolecarboxaldehyde, analytical standard
    • Q27283313
    • F2190-0578
    • Z104485562
    • 1-Methyl-2-pyrrolecarboxaldehyde;N-methyl-1H-pyrrole-2-carbaldehyde

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 104.35
    methanol 160.89
    isopropanol 68.19
    water 103.81
    ethyl acetate 40.04
    n-propanol 90.42
    acetone 54.78
    n-butanol 67.15
    acetonitrile 89.29
    DMF 182.59
    toluene 18.47
    isobutanol 67.86
    1,4-dioxane 116.58
    methyl acetate 76.92
    THF 85.32
    2-butanone 55.95
    n-pentanol 37.49
    sec-butanol 67.04
    n-hexane 1.9
    ethylene glycol 110.63
    NMP 139.4
    cyclohexane 5.53
    DMSO 184.01
    n-butyl acetate 23.85
    n-octanol 16.09
    chloroform 217.3
    n-propyl acetate 21.9
    acetic acid 193.58
    dichloromethane 203.89
    cyclohexanone 79.1
    propylene glycol 69.75
    isopropyl acetate 18.55
    DMAc 156.48
    2-ethoxyethanol 82.73
    isopentanol 51.01
    n-heptane 3.19
    ethyl formate 53.89
    1,2-dichloroethane 110.73
    n-hexanol 34.06
    2-methoxyethanol 176.54
    isobutyl acetate 13.56
    tetrachloromethane 45.58
    n-pentyl acetate 17.16
    transcutol 191.86
    n-heptanol 20.61
    ethylbenzene 9.94
    MIBK 21.4
    2-propoxyethanol 66.02
    tert-butanol 81.14
    MTBE 29.34
    2-butoxyethanol 48.05
    propionic acid 120.45
    o-xylene 22.18
    formic acid 311.59
    diethyl ether 27.91
    m-xylene 15.35
    p-xylene 19.24
    chlorobenzene 46.87
    dimethyl carbonate 28.57
    n-octane 1.37
    formamide 385.02
    cyclopentanone 90.07
    2-pentanone 30.95
    anisole 30.88
    cyclopentyl methyl ether 35.32
    gamma-butyrolactone 124.28
    1-methoxy-2-propanol 89.17
    pyridine 120.12
    3-pentanone 33.92
    furfural 166.3
    n-dodecane 1.34
    diethylene glycol 98.57
    diisopropyl ether 7.13
    tert-amyl alcohol 69.69
    acetylacetone 38.35
    n-hexadecane 1.46
    acetophenone 38.07
    methyl propionate 44.79
    isopentyl acetate 24.02
    trichloroethylene 235.79
    n-nonanol 15.26
    cyclohexanol 60.4
    benzyl alcohol 40.41
    2-ethylhexanol 21.16
    isooctanol 17.72
    dipropyl ether 14.42
    1,2-dichlorobenzene 56.73
    ethyl lactate 24.74
    propylene carbonate 64.03
    n-methylformamide 154.97
    2-pentanol 35.94
    n-pentane 2.8
    1-propoxy-2-propanol 42.06
    1-methoxy-2-propyl acetate 31.25
    2-(2-methoxypropoxy) propanol 54.37
    mesitylene 10.73
    ε-caprolactone 71.14
    p-cymene 11.93
    epichlorohydrin 134.72
    1,1,1-trichloroethane 108.82
    2-aminoethanol 157.32
    morpholine-4-carbaldehyde 142.17
    sulfolane 147.18
    2,2,4-trimethylpentane 3.26
    2-methyltetrahydrofuran 68.28
    n-hexyl acetate 23.51
    isooctane 1.89
    2-(2-butoxyethoxy)ethanol 66.0
    sec-butyl acetate 14.27
    tert-butyl acetate 23.44
    decalin 3.29
    glycerin 134.94
    diglyme 121.62
    acrylic acid 136.93
    isopropyl myristate 11.18
    n-butyric acid 88.36
    acetyl acetate 30.22
    di(2-ethylhexyl) phthalate 18.67
    ethyl propionate 21.89
    nitromethane 260.68
    1,2-diethoxyethane 32.31
    benzonitrile 48.74
    trioctyl phosphate 12.12
    1-bromopropane 39.35
    gamma-valerolactone 131.79
    n-decanol 11.66
    triethyl phosphate 19.56
    4-methyl-2-pentanol 20.39
    propionitrile 71.34
    vinylene carbonate 76.6
    1,1,2-trichlorotrifluoroethane 168.37
    DMS 35.03
    cumene 11.06
    2-octanol 12.72
    2-hexanone 21.95
    octyl acetate 14.87
    limonene 16.84
    1,2-dimethoxyethane 85.71
    ethyl orthosilicate 17.82
    tributyl phosphate 14.84
    diacetone alcohol 47.54
    N,N-dimethylaniline 28.02
    acrylonitrile 113.67
    aniline 55.58
    1,3-propanediol 129.02
    bromobenzene 38.53
    dibromomethane 106.89
    1,1,2,2-tetrachloroethane 171.91
    2-methyl-cyclohexyl acetate 25.05
    tetrabutyl urea 20.39
    diisobutyl methanol 12.78
    2-phenylethanol 37.78
    styrene 12.48
    dioctyl adipate 20.78
    dimethyl sulfate 61.01
    ethyl butyrate 21.7
    methyl lactate 43.87
    butyl lactate 23.13
    diethyl carbonate 21.16
    propanediol butyl ether 42.0
    triethyl orthoformate 19.54
    p-tert-butyltoluene 10.89
    methyl 4-tert-butylbenzoate 39.78
    morpholine 130.57
    tert-butylamine 44.49
    n-dodecanol 9.21
    dimethoxymethane 60.21
    ethylene carbonate 53.44
    cyrene 58.49
    2-ethoxyethyl acetate 30.9
    2-ethylhexyl acetate 18.98
    1,2,4-trichlorobenzene 69.18
    4-methylpyridine 73.15
    dibutyl ether 11.48
    2,6-dimethyl-4-heptanol 12.78
    DEF 59.17
    dimethyl isosorbide 77.3
    tetrachloroethylene 146.85
    eugenol 47.41
    triacetin 33.3
    span 80 40.11
    1,4-butanediol 51.85
    1,1-dichloroethane 98.01
    2-methyl-1-pentanol 34.94
    methyl formate 97.88
    2-methyl-1-butanol 57.51
    n-decane 1.85
    butyronitrile 50.49
    3,7-dimethyl-1-octanol 17.91
    1-chlorooctane 8.55
    1-chlorotetradecane 4.23
    n-nonane 1.61
    undecane 1.56
    tert-butylcyclohexane 3.15
    cyclooctane 1.68
    cyclopentanol 70.79
    tetrahydropyran 62.76
    tert-amyl methyl ether 24.94
    2,5,8-trioxanonane 93.51
    1-hexene 7.43
    2-isopropoxyethanol 47.54
    2,2,2-trifluoroethanol 144.12
    methyl butyrate 32.69

    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
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.01%
Chicory root, roasted 2 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 1.24%