1-[(thiophen-2-yl)methyl]-1H-pyrrole-2-carbaldehyde

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  • Identifiers

    CAS number
    35250-67-0

    Molecular formula
    C10H9NOS

    SMILES
    C1=CN(C(=C1)C=O)CC2=CC=CS2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 62.88%
    Nutty 55.94%
    Meaty 52.86%
    Burnt 45.18%
    Coffee 40.48%
    Cooked 37.63%
    Savory 34.9%
    Caramellic 31.92%
    Sulfurous 30.72%
    Beefy 29.99%

     

    Flavor
    Nutty 40.2%
    Roasted 36.66%
    Coffee 35.07%
    Bitter 34.51%
    Roast 31.62%
    Chocolate 30.64%
    Popcorn 29.27%
    Oily 27.95%
    Vegetable 27.64%
    Cooked 27.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    5.05 (weak acid)

    Molecular weight
    191.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    381°C

    Flash point

    • 124.43 ˚C est.

  • Synonyms

    • 35250-67-0
    • 1-[(Thiophen-2-yl)methyl]-1H-pyrrole-2-carbaldehyde
    • 1-((thiophen-2-yl)methyl)-1H-pyrrole-2-carbaldehyde
    • RefChem:419141
    • 992-491-1
    • 1-(thiophen-2-ylmethyl)-1H-pyrrole-2-carbaldehyde
    • 1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde
    • SCHEMBL11334754
    • KBA25067
    • AKOS009519243
    • 1-(2-thienylmethyl)pyrrole-2-carbaldehyde
    • CS-0261806
    • EN300-80108
    • G21091
    • Z425487094
    • 35250-67-0

  • Applications

    1-[(thiophen-2-yl)methyl]-1H-pyrrole-2-carbaldehyde (CAS 35250-67-0) is primarily viewed as a synthesis intermediate across multiple sectors, including pharmaceuticals and agrochemicals; it can be used as an intermediate in synthetic routes to generate heterocyclic pyrrole/thiophene derivatives; it is also commonly considered a building block for libraries of heterocyclic compounds in medicinal chemistry research and development; additionally, it may serve as a precursor for materials applications such as conjugated polymers and organic electronic materials; in industrial settings, it is a specialized intermediate for more complex syntheses, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.06
    methanol 48.52
    isopropanol 32.38
    water 1.92
    ethyl acetate 56.79
    n-propanol 48.18
    acetone 111.27
    n-butanol 40.5
    acetonitrile 75.34
    DMF 181.62
    toluene 44.97
    isobutanol 37.51
    1,4-dioxane 90.54
    methyl acetate 86.81
    THF 137.23
    2-butanone 122.26
    n-pentanol 42.86
    sec-butanol 45.73
    n-hexane 0.95
    ethylene glycol 37.33
    NMP 177.34
    cyclohexane 4.06
    DMSO 264.59
    n-butyl acetate 50.38
    n-octanol 22.34
    chloroform 172.81
    n-propyl acetate 61.38
    acetic acid 87.46
    dichloromethane 228.65
    cyclohexanone 153.57
    propylene glycol 46.85
    isopropyl acetate 30.35
    DMAc 198.51
    2-ethoxyethanol 104.42
    isopentanol 44.3
    n-heptane 3.14
    ethyl formate 72.31
    1,2-dichloroethane 150.21
    n-hexanol 37.74
    2-methoxyethanol 142.52
    isobutyl acetate 38.02
    tetrachloromethane 20.05
    n-pentyl acetate 34.77
    transcutol 361.47
    n-heptanol 26.74
    ethylbenzene 28.51
    MIBK 46.6
    2-propoxyethanol 82.54
    tert-butanol 39.88
    MTBE 24.25
    2-butoxyethanol 68.41
    propionic acid 69.74
    o-xylene 37.93
    formic acid 80.18
    diethyl ether 18.83
    m-xylene 33.47
    p-xylene 42.73
    chlorobenzene 82.14
    dimethyl carbonate 34.72
    n-octane 1.29
    formamide 173.18
    cyclopentanone 192.5
    2-pentanone 66.18
    anisole 76.34
    cyclopentyl methyl ether 58.96
    gamma-butyrolactone 191.05
    1-methoxy-2-propanol 90.52
    pyridine 188.71
    3-pentanone 55.07
    furfural 263.28
    n-dodecane 1.38
    diethylene glycol 91.75
    diisopropyl ether 8.0
    tert-amyl alcohol 47.68
    acetylacetone 81.29
    n-hexadecane 1.58
    acetophenone 104.39
    methyl propionate 58.1
    isopentyl acetate 48.04
    trichloroethylene 379.75
    n-nonanol 21.68
    cyclohexanol 54.18
    benzyl alcohol 91.49
    2-ethylhexanol 31.19
    isooctanol 25.66
    dipropyl ether 22.12
    1,2-dichlorobenzene 85.49
    ethyl lactate 47.0
    propylene carbonate 115.81
    n-methylformamide 125.87
    2-pentanol 27.77
    n-pentane 1.21
    1-propoxy-2-propanol 60.47
    1-methoxy-2-propyl acetate 63.37
    2-(2-methoxypropoxy) propanol 82.39
    mesitylene 19.66
    ε-caprolactone 120.51
    p-cymene 23.09
    epichlorohydrin 255.81
    1,1,1-trichloroethane 84.87
    2-aminoethanol 60.79
    morpholine-4-carbaldehyde 168.64
    sulfolane 220.47
    2,2,4-trimethylpentane 2.22
    2-methyltetrahydrofuran 96.3
    n-hexyl acetate 41.92
    isooctane 1.48
    2-(2-butoxyethoxy)ethanol 102.06
    sec-butyl acetate 36.0
    tert-butyl acetate 36.33
    decalin 3.88
    glycerin 87.22
    diglyme 191.43
    acrylic acid 86.41
    isopropyl myristate 18.59
    n-butyric acid 67.12
    acetyl acetate 39.61
    di(2-ethylhexyl) phthalate 29.67
    ethyl propionate 45.21
    nitromethane 203.29
    1,2-diethoxyethane 57.97
    benzonitrile 103.89
    trioctyl phosphate 17.73
    1-bromopropane 40.34
    gamma-valerolactone 234.74
    n-decanol 17.38
    triethyl phosphate 30.99
    4-methyl-2-pentanol 21.58
    propionitrile 60.3
    vinylene carbonate 113.5
    1,1,2-trichlorotrifluoroethane 206.21
    DMS 48.87
    cumene 22.44
    2-octanol 16.64
    2-hexanone 71.42
    octyl acetate 24.75
    limonene 28.83
    1,2-dimethoxyethane 136.47
    ethyl orthosilicate 27.23
    tributyl phosphate 22.34
    diacetone alcohol 70.47
    N,N-dimethylaniline 58.72
    acrylonitrile 107.53
    aniline 85.45
    1,3-propanediol 68.59
    bromobenzene 75.38
    dibromomethane 109.59
    1,1,2,2-tetrachloroethane 217.29
    2-methyl-cyclohexyl acetate 49.61
    tetrabutyl urea 34.18
    diisobutyl methanol 18.18
    2-phenylethanol 70.93
    styrene 37.99
    dioctyl adipate 35.06
    dimethyl sulfate 69.71
    ethyl butyrate 45.99
    methyl lactate 54.6
    butyl lactate 44.19
    diethyl carbonate 36.84
    propanediol butyl ether 71.76
    triethyl orthoformate 34.62
    p-tert-butyltoluene 19.21
    methyl 4-tert-butylbenzoate 63.53
    morpholine 117.94
    tert-butylamine 20.47
    n-dodecanol 13.46
    dimethoxymethane 71.46
    ethylene carbonate 76.94
    cyrene 107.09
    2-ethoxyethyl acetate 60.38
    2-ethylhexyl acetate 38.41
    1,2,4-trichlorobenzene 119.17
    4-methylpyridine 143.02
    dibutyl ether 18.29
    2,6-dimethyl-4-heptanol 18.18
    DEF 79.57
    dimethyl isosorbide 119.88
    tetrachloroethylene 144.45
    eugenol 74.4
    triacetin 63.22
    span 80 60.19
    1,4-butanediol 41.4
    1,1-dichloroethane 90.43
    2-methyl-1-pentanol 47.21
    methyl formate 103.98
    2-methyl-1-butanol 45.51
    n-decane 1.92
    butyronitrile 50.48
    3,7-dimethyl-1-octanol 25.81
    1-chlorooctane 11.54
    1-chlorotetradecane 5.33
    n-nonane 1.57
    undecane 1.62
    tert-butylcyclohexane 3.44
    cyclooctane 1.74
    cyclopentanol 60.56
    tetrahydropyran 68.06
    tert-amyl methyl ether 26.26
    2,5,8-trioxanonane 138.96
    1-hexene 7.88
    2-isopropoxyethanol 73.06
    2,2,2-trifluoroethanol 59.3
    methyl butyrate 73.45

    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