Pyrrole-2-carboxaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1003-29-8

    Molecular formula
    C5H5NO

    SMILES
    C1=CNC(=C1)C=O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1998.5

  • Odor profile

    Nutty 74.77%
    Burnt 61.82%
    Roasted 61.71%
    Coffee 49.59%
    Almond 45.59%
    Popcorn 41.22%
    Musty 40.07%
    Caramellic 39.87%
    Pungent 39.07%
    Spicy 33.71%

    Scent© AI

  • Properties

    XLogP3-AA
    0.6

    Molecular weight
    95.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 50 - 51 °C

    Boiling point

    • 216.00 to 218.00 °C. @ 760.00 mm Hg

    Flash point est.
    108.05 ˚C

  • Synonyms

    • 1H-Pyrrole-2-carbaldehyde
    • PYRROLE-2-CARBOXALDEHYDE
    • 1003-29-8
    • 2-Formylpyrrole
    • 1H-Pyrrole-2-carboxaldehyde
    • Pyrrole-2-aldehyde
    • 2-Pyrrolecarbaldehyde
    • 2-Pyrrolecarboxaldehyde
    • 254729-95-8
    • Pyrrole-2-carbaldehyde
    • 2-Pyrrolylcarboxaldehyde
    • 2-Pyrrolaldehyde
    • alpha-Pyrrolaldehyde
    • 2-Pyrrolcarbaldehyde
    • Pyrrol-2-carboxaldehyde
    • MFCD00005217
    • 2-carboxaldehyde-1H-pyrrole
    • 1H-pyrrole-2-carboxyaldehyde
    • CHEBI:59978
    • 1-Pyrrole-2-carboxaldehyde
    • UNII-068TSM6S6P
    • NSC 66394
    • NSC 112885
    • 068TSM6S6P
    • pyrrole-2-formaldehyde
    • EINECS 213-705-5
    • NSC-66394
    • NSC-112885
    • 1(H)-pyrrole carboxaldehyde
    • AI3-35104
    • DTXSID3061392
    • Pyrrole-2-carboxaldehyde (8CI)
    • 1H-Pyrrole-2-carboxaldehyde,radical ion(1-) (9CI)
    • 1H-Pyrrolecarboxaldehyde
    • pyrrole carboxaldehyde
    • 2formylpyrrole
    • formyl-pyrrole
    • pyrrole aldehyde
    • a-Pyrrolaldehyde
    • Pyrrole2aldehyde
    • 2-Formyl-pyrrole
    • 2-pyrrolaldehyde;
    • pyrrol-2-aldehyde
    • 2-pyrrole aldehyde
    • 2Pyrrolecarbaldehyde
    • Pyrrole2carbaldehyde
    • pyrrole-carboxaldehyde
    • 2-pyrrolcarboxaldehyde
    • pyrrol-2-carbaldehyde
    • 2Pyrrolylcarboxaldehyde
    • 2-pyrrole carbaldehyde
    • .alpha.-Pyrrolaldehyde
    • 1HPyrrole2carboxaldehyde
    • 2-pyrrole carboxaldehyde
    • pyrrole 2-carboxaldehyde
    • Epitope ID:136032
    • 1H-Pyrrole-2-carbaldehyde #
    • 1( H)-Pyrrole carboxaldehyde
    • CHEMBL2229658
    • DTXCID6032512
    • Pyrrole-2-carboxaldehyde, 98%
    • BCP13856
    • CS-D0925
    • NSC66394
    • STR01055
    • NSC112885
    • STK320567
    • AKOS000120434
    • AB00388
    • AC-4316
    • FP07114
    • PS-9355
    • SB62018
    • BP-10720
    • HY-77817
    • SY001497
    • DB-030991
    • NS00021428
    • P1246
    • EN300-20526
    • AE-508/40279457
    • BRD-K20608729-001-01-9
    • Q27127003
    • F0001-2423
    • Z104478580
    • 1H-Pyrrole-2-carboxaldehyde; 2-Pyrrolecarbaldehyde;2-Formylpyrrole

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.77
    methanol 90.96
    isopropanol 22.66
    water 34.55
    ethyl acetate 6.74
    n-propanol 35.49
    acetone 13.42
    n-butanol 25.5
    acetonitrile 8.76
    DMF 117.47
    toluene 0.68
    isobutanol 24.54
    1,4-dioxane 10.45
    methyl acetate 12.87
    THF 17.68
    2-butanone 16.14
    n-pentanol 20.01
    sec-butanol 21.08
    n-hexane 0.31
    ethylene glycol 53.66
    NMP 92.95
    cyclohexane 0.28
    DMSO 114.8
    n-butyl acetate 9.32
    n-octanol 9.51
    chloroform 5.69
    n-propyl acetate 8.97
    acetic acid 108.84
    dichloromethane 5.75
    cyclohexanone 19.84
    propylene glycol 45.76
    isopropyl acetate 4.63
    DMAc 95.41
    2-ethoxyethanol 50.7
    isopentanol 21.58
    n-heptane 0.68
    ethyl formate 13.34
    1,2-dichloroethane 4.61
    n-hexanol 14.86
    2-methoxyethanol 84.21
    isobutyl acetate 6.58
    tetrachloromethane 1.28
    n-pentyl acetate 7.96
    transcutol 187.93
    n-heptanol 10.33
    ethylbenzene 1.03
    MIBK 8.63
    2-propoxyethanol 37.58
    tert-butanol 23.84
    MTBE 4.93
    2-butoxyethanol 30.7
    propionic acid 52.06
    o-xylene 1.46
    formic acid 145.26
    diethyl ether 2.69
    m-xylene 1.34
    p-xylene 1.98
    chlorobenzene 2.93
    dimethyl carbonate 8.33
    n-octane 0.31
    formamide 144.28
    cyclopentanone 25.09
    2-pentanone 8.66
    anisole 5.93
    cyclopentyl methyl ether 6.12
    gamma-butyrolactone 40.03
    1-methoxy-2-propanol 48.99
    pyridine 12.56
    3-pentanone 6.85
    furfural 53.96
    n-dodecane 0.36
    diethylene glycol 56.86
    diisopropyl ether 1.34
    tert-amyl alcohol 21.42
    acetylacetone 11.51
    n-hexadecane 0.37
    acetophenone 11.79
    methyl propionate 10.73
    isopentyl acetate 9.68
    trichloroethylene 12.5
    n-nonanol 9.12
    cyclohexanol 11.08
    benzyl alcohol 13.43
    2-ethylhexanol 8.54
    isooctanol 9.79
    dipropyl ether 4.68
    1,2-dichlorobenzene 4.58
    ethyl lactate 16.28
    propylene carbonate 21.8
    n-methylformamide 73.59
    2-pentanol 10.72
    n-pentane 0.31
    1-propoxy-2-propanol 25.89
    1-methoxy-2-propyl acetate 13.68
    2-(2-methoxypropoxy) propanol 39.93
    mesitylene 1.33
    ε-caprolactone 21.89
    p-cymene 2.49
    epichlorohydrin 25.17
    1,1,1-trichloroethane 3.22
    2-aminoethanol 83.37
    morpholine-4-carbaldehyde 64.29
    sulfolane 66.27
    2,2,4-trimethylpentane 0.51
    2-methyltetrahydrofuran 11.51
    n-hexyl acetate 11.59
    isooctane 0.39
    2-(2-butoxyethoxy)ethanol 53.73
    sec-butyl acetate 5.46
    tert-butyl acetate 6.82
    decalin 0.42
    glycerin 83.23
    diglyme 77.43
    acrylic acid 63.78
    isopropyl myristate 5.22
    n-butyric acid 35.54
    acetyl acetate 5.93
    di(2-ethylhexyl) phthalate 10.4
    ethyl propionate 6.92
    nitromethane 87.9
    1,2-diethoxyethane 13.27
    benzonitrile 10.37
    trioctyl phosphate 7.22
    1-bromopropane 1.65
    gamma-valerolactone 47.43
    n-decanol 7.2
    triethyl phosphate 6.88
    4-methyl-2-pentanol 8.39
    propionitrile 9.52
    vinylene carbonate 21.97
    1,1,2-trichlorotrifluoroethane 56.28
    DMS 11.02
    cumene 1.81
    2-octanol 6.22
    2-hexanone 10.93
    octyl acetate 7.78
    limonene 3.37
    1,2-dimethoxyethane 35.19
    ethyl orthosilicate 6.19
    tributyl phosphate 8.54
    diacetone alcohol 23.16
    N,N-dimethylaniline 7.18
    acrylonitrile 18.08
    aniline 5.94
    1,3-propanediol 64.23
    bromobenzene 1.66
    dibromomethane 2.69
    1,1,2,2-tetrachloroethane 11.32
    2-methyl-cyclohexyl acetate 9.64
    tetrabutyl urea 13.41
    diisobutyl methanol 5.46
    2-phenylethanol 12.87
    styrene 1.23
    dioctyl adipate 11.14
    dimethyl sulfate 21.67
    ethyl butyrate 8.68
    methyl lactate 24.84
    butyl lactate 16.18
    diethyl carbonate 7.17
    propanediol butyl ether 43.92
    triethyl orthoformate 7.68
    p-tert-butyltoluene 2.31
    methyl 4-tert-butylbenzoate 18.49
    morpholine 22.25
    tert-butylamine 9.88
    n-dodecanol 5.49
    dimethoxymethane 20.72
    ethylene carbonate 13.35
    cyrene 37.33
    2-ethoxyethyl acetate 13.58
    2-ethylhexyl acetate 7.03
    1,2,4-trichlorobenzene 6.98
    4-methylpyridine 8.1
    dibutyl ether 5.03
    2,6-dimethyl-4-heptanol 5.46
    DEF 23.31
    dimethyl isosorbide 40.03
    tetrachloroethylene 8.22
    eugenol 27.13
    triacetin 19.41
    span 80 30.55
    1,4-butanediol 35.89
    1,1-dichloroethane 2.75
    2-methyl-1-pentanol 18.85
    methyl formate 37.45
    2-methyl-1-butanol 22.46
    n-decane 0.47
    butyronitrile 7.82
    3,7-dimethyl-1-octanol 10.34
    1-chlorooctane 2.1
    1-chlorotetradecane 1.1
    n-nonane 0.39
    undecane 0.41
    tert-butylcyclohexane 0.53
    cyclooctane 0.14
    cyclopentanol 17.85
    tetrahydropyran 5.95
    tert-amyl methyl ether 5.4
    2,5,8-trioxanonane 63.24
    1-hexene 1.29
    2-isopropoxyethanol 28.67
    2,2,2-trifluoroethanol 47.37
    methyl butyrate 12.47

    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 0.1%
Colocasia esculenta (Taro) Colocasia esculenta (L.) Schott, fam. Araceae 0.3%
Chicory root, roasted 2 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 1.68%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.03%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.03%