3-Thiophenecarboxaldehyde

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  • Identifiers

    CAS number
    498-62-4

    Molecular formula
    C5H4OS

    SMILES
    C1=CSC=C1C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 57.77%
    Roasted 45.14%
    Sulfurous 44.33%
    Almond 44.27%
    Burnt 44.12%
    Coffee 40.86%
    Pungent 39.2%
    Bitter 34.8%
    Alliaceous 32.47%
    Caramellic 31.67%

     

    Flavor
    Almond 52.9%
    Sweet 52.4%
    Woody 51.47%
    Sulfur 38.25%
    Cherry 37.54%
    Bitter 29.96%
    Nutty 29.57%
    Cinnamon 29.07%
    Burnt sugar 28.55%
    Fragrant 25.86%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    5.0 (weak acid)

    Molecular weight
    112.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    186°C

    Flash point

    • 52.45 ˚C est.

  • Synonyms

    • 3-Thiophenecarboxaldehyde
    • Thiophene-3-carbaldehyde
    • 498-62-4
    • 3-Formylthiophene
    • Thiophene-3-carboxaldehyde
    • 3-Thiophenaldehyde
    • Thiophene-3-aldehyde
    • 3-Thienophenecarboxyaldehyde
    • 3-Thiophenecarbaldehyde
    • 3-thiophene carboxaldehyde
    • 3-formyl-thiophene
    • CHEBI:87611
    • thiophen-3-carboxaldehyde
    • 3-thiophene carboxyaldehyde
    • MFCD00005466
    • EINECS 207-865-5
    • 3-Carboxaldehyde-thiophene
    • NSC 172858
    • CHEMBL72211
    • DTXSID2060098
    • 3-thiophenealdehyde
    • 3-thienaldehyde
    • 3-Thiophene aldehyde
    • thiophene-3carbaldehyde
    • 3-thiopene carbaldehyde
    • thiophen-3-carbaldehyde
    • 3-thiophencarboxaldehyde
    • 3-thiophenecarboaldehyde
    • 3-thiophenecarboxaldhyde
    • thiophene 3-carbaldehyde
    • thiophene-3 carbaldehyde
    • 3-Thiophene carbaldehyde
    • thiophene-3-carboaldehyde
    • Thiophene-3-carbaldehydec
    • 3-thiophene-carboxaldehyde
    • 3-Thiophenecarbaldehyde #
    • thiophene 3-carboxaldehyde
    • Thiophen-3-carboxyaldehyde
    • SCHEMBL35993
    • BIDD:GT0114
    • 3-Thiophenecarboxaldehyde, 98%
    • DTXCID1040742
    • BCP31027
    • BBL012656
    • BDBM50217035
    • NSC172858
    • STL163653
    • AKOS000119416
    • AC-4906
    • CS-W001968
    • FT11818
    • NSC-172858
    • PB14065
    • PS-5324
    • BP-10635
    • SY001129
    • DB-006525
    • A7418
    • NS00031976
    • T0864
    • EN300-18316
    • Q27159774
    • Z57887873
    • F2190-0596
    • 3-Formylthiophene pound>>3-Thenaldehyde pound>>Thiophene-3-carbaldehyde
    • 207-865-5

  • Applications

    3-Thiophenecarboxaldehyde is a versatile heteroaromatic aldehyde primarily used as an intermediate in organic synthesis. It serves as a building block for producing substituted thiophene compounds and broader heteroaromatic frameworks relevant to pharmaceutical and agrochemical development. It is also employed as a precursor in the synthesis of dyes and pigments and can function as a functionalizable monomer or co-monomer in polymers and coating formulations, supporting aromatic content in coatings, inks, and related materials. In perfumery, thiophene-containing aldehydes are used as odorants or fragrance intermediates, and 3-thiophenecarboxaldehyde may be evaluated for such applications within formulation limits. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.88
    methanol 54.78
    isopropanol 30.92
    water 3.71
    ethyl acetate 38.53
    n-propanol 46.64
    acetone 64.99
    n-butanol 42.16
    acetonitrile 34.85
    DMF 129.61
    toluene 12.57
    isobutanol 31.98
    1,4-dioxane 55.07
    methyl acetate 62.47
    THF 83.98
    2-butanone 70.98
    n-pentanol 47.25
    sec-butanol 36.86
    n-hexane 2.5
    ethylene glycol 27.15
    NMP 142.93
    cyclohexane 3.16
    DMSO 96.98
    n-butyl acetate 56.02
    n-octanol 43.1
    chloroform 90.89
    n-propyl acetate 61.16
    acetic acid 128.83
    dichloromethane 67.04
    cyclohexanone 87.34
    propylene glycol 29.24
    isopropyl acetate 31.13
    DMAc 117.2
    2-ethoxyethanol 95.22
    isopentanol 43.33
    n-heptane 4.97
    ethyl formate 42.85
    1,2-dichloroethane 48.37
    n-hexanol 47.17
    2-methoxyethanol 101.13
    isobutyl acetate 45.91
    tetrachloromethane 12.94
    n-pentyl acetate 47.23
    transcutol 545.75
    n-heptanol 38.37
    ethylbenzene 16.6
    MIBK 45.84
    2-propoxyethanol 91.11
    tert-butanol 39.22
    MTBE 26.37
    2-butoxyethanol 84.68
    propionic acid 78.35
    o-xylene 17.03
    formic acid 71.63
    diethyl ether 21.64
    m-xylene 15.57
    p-xylene 27.11
    chlorobenzene 36.2
    dimethyl carbonate 27.88
    n-octane 2.72
    formamide 127.41
    cyclopentanone 102.66
    2-pentanone 48.99
    anisole 56.38
    cyclopentyl methyl ether 39.1
    gamma-butyrolactone 113.57
    1-methoxy-2-propanol 81.79
    pyridine 84.49
    3-pentanone 37.41
    furfural 154.63
    n-dodecane 3.12
    diethylene glycol 80.95
    diisopropyl ether 11.52
    tert-amyl alcohol 46.56
    acetylacetone 63.09
    n-hexadecane 3.38
    acetophenone 81.25
    methyl propionate 40.59
    isopentyl acetate 53.42
    trichloroethylene 147.94
    n-nonanol 39.02
    cyclohexanol 33.4
    benzyl alcohol 62.73
    2-ethylhexanol 37.52
    isooctanol 36.39
    dipropyl ether 30.67
    1,2-dichlorobenzene 47.62
    ethyl lactate 46.2
    propylene carbonate 73.53
    n-methylformamide 81.93
    2-pentanol 32.1
    n-pentane 2.21
    1-propoxy-2-propanol 73.36
    1-methoxy-2-propyl acetate 61.23
    2-(2-methoxypropoxy) propanol 101.01
    mesitylene 13.13
    ε-caprolactone 84.82
    p-cymene 20.5
    epichlorohydrin 107.84
    1,1,1-trichloroethane 46.08
    2-aminoethanol 55.31
    morpholine-4-carbaldehyde 141.74
    sulfolane 135.47
    2,2,4-trimethylpentane 3.53
    2-methyltetrahydrofuran 60.27
    n-hexyl acetate 65.31
    isooctane 3.4
    2-(2-butoxyethoxy)ethanol 146.19
    sec-butyl acetate 40.39
    tert-butyl acetate 44.92
    decalin 4.81
    glycerin 55.78
    diglyme 224.91
    acrylic acid 92.7
    isopropyl myristate 30.26
    n-butyric acid 74.31
    acetyl acetate 34.43
    di(2-ethylhexyl) phthalate 36.5
    ethyl propionate 42.56
    nitromethane 168.74
    1,2-diethoxyethane 80.27
    benzonitrile 65.13
    trioctyl phosphate 25.57
    1-bromopropane 18.26
    gamma-valerolactone 141.46
    n-decanol 30.06
    triethyl phosphate 31.0
    4-methyl-2-pentanol 28.84
    propionitrile 33.49
    vinylene carbonate 82.48
    1,1,2-trichlorotrifluoroethane 135.98
    DMS 53.24
    cumene 18.72
    2-octanol 28.05
    2-hexanone 70.94
    octyl acetate 36.84
    limonene 26.01
    1,2-dimethoxyethane 113.43
    ethyl orthosilicate 30.28
    tributyl phosphate 30.65
    diacetone alcohol 75.61
    N,N-dimethylaniline 51.26
    acrylonitrile 54.31
    aniline 38.72
    1,3-propanediol 59.51
    bromobenzene 26.98
    dibromomethane 39.37
    1,1,2,2-tetrachloroethane 106.32
    2-methyl-cyclohexyl acetate 56.33
    tetrabutyl urea 45.59
    diisobutyl methanol 26.23
    2-phenylethanol 61.69
    styrene 20.46
    dioctyl adipate 50.68
    dimethyl sulfate 49.73
    ethyl butyrate 49.02
    methyl lactate 45.66
    butyl lactate 56.05
    diethyl carbonate 36.13
    propanediol butyl ether 101.2
    triethyl orthoformate 39.41
    p-tert-butyltoluene 18.72
    methyl 4-tert-butylbenzoate 81.23
    morpholine 71.72
    tert-butylamine 24.91
    n-dodecanol 23.53
    dimethoxymethane 54.82
    ethylene carbonate 50.99
    cyrene 106.75
    2-ethoxyethyl acetate 68.74
    2-ethylhexyl acetate 42.27
    1,2,4-trichlorobenzene 62.51
    4-methylpyridine 64.8
    dibutyl ether 36.47
    2,6-dimethyl-4-heptanol 26.23
    DEF 65.78
    dimethyl isosorbide 140.43
    tetrachloroethylene 79.17
    eugenol 101.98
    triacetin 86.53
    span 80 82.59
    1,4-butanediol 36.54
    1,1-dichloroethane 38.28
    2-methyl-1-pentanol 47.52
    methyl formate 57.13
    2-methyl-1-butanol 39.62
    n-decane 4.57
    butyronitrile 33.49
    3,7-dimethyl-1-octanol 40.91
    1-chlorooctane 19.99
    1-chlorotetradecane 9.13
    n-nonane 4.0
    undecane 3.67
    tert-butylcyclohexane 5.56
    cyclooctane 1.55
    cyclopentanol 39.44
    tetrahydropyran 42.38
    tert-amyl methyl ether 27.89
    2,5,8-trioxanonane 169.42
    1-hexene 13.24
    2-isopropoxyethanol 74.85
    2,2,2-trifluoroethanol 64.37
    methyl butyrate 63.0

    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