2-Thiophenecarboxaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    98-03-3

    Molecular formula
    C5H4OS

    SMILES
    C1=CSC(=C1)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 62.47%
    Sulfurous 55.06%
    Burnt 48.81%
    Coffee 48.25%
    Almond 46.21%
    Roasted 43.7%
    Caramellic 43.59%
    Alliaceous 35.73%
    Bitter 33.43%
    Meaty 32.28%

     

    Flavor
    Sulfur 56.29%
    Sulfurous 47.7%
    Almond 39.74%
    Woody 37.79%
    Sweet 30.8%
    Horseradish 28.66%
    Garlic 27.64%
    Burnt sugar 26.57%
    Bread 26.41%
    Fragrant 25.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    4.91 (weak acid)

    Molecular weight
    112.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 75.00 to 77.00 °C. @ 11.00 mm Hg

    Flash point

    • 50.02 ˚C est.

  • Synonyms

    • Thiophene-2-carbaldehyde
    • 2-Thiophenecarboxaldehyde
    • 98-03-3
    • 2-Thenaldehyde
    • Thiophene-2-aldehyde
    • Thiophene-2-carboxaldehyde
    • 2-Thiophenealdehyde
    • 2-Thienylaldehyde
    • 2-FORMYLTHIOPHENE
    • 2-Thienaldehyde
    • 2-Thienylcarboxaldehyde
    • 2-Thiophene carboxaldehyde
    • 2-Thiophenecarbaldehyde
    • alpha-Formylthiophene
    • 2-Thiophenaldehyde
    • formylthiophene
    • Thenaldehyde
    • .alpha.-Formylthiophene
    • alpha-Thiophenecarboxaldehyde
    • NSC 2162
    • .alpha.-Thiophenecarboxaldehyde
    • 2-thiophencarboxaldehyde
    • 2-thienal
    • EINECS 202-629-8
    • MFCD00005429
    • THIOFURFURAL
    • thiophenecarboxaldehyde
    • AI3-16611
    • thiophen-2-carbaldehyde
    • 2-FORMYLTHIOFURAN
    • thiophene-o-carboxaldehyde
    • 2-Carboxaldehyde-thiophene
    • IW05BB9XBM
    • 2-thiophene carboxyaldehyde
    • 2-THIENYLCARBALDEHYDE
    • CHEMBL328441
    • .ALPHA.-THIOPHENALDEHYDE
    • 2-THIOFURANCARBOXALDEHYDE
    • DTXSID7052656
    • CHEBI:87301
    • EC 202-629-8
    • THIOPHENEALDEHYDE [USP IMPURITY]
    • PYRANTEL EMBONATE IMPURITY C [EP IMPURITY]
    • THIOPHENEALDEHYDE (USP IMPURITY)
    • 2-thiophene carbaldehyde
    • PYRANTEL EMBONATE IMPURITY C (EP IMPURITY)
    • Thiophene-2-carbaldehyde; Pyrantel Embonate Imp. C (EP)
    • thiophenaldehyde
    • 2Thienaldehyde
    • a-Thenaldehyde
    • thiophenealdehyde
    • 2Formylthiophene
    • 2Thienylaldehyde
    • 2Thiophenealdehyde
    • thien-2-aldehyde
    • alphaFormylthiophene
    • 2-formyl-thiophene
    • thiophen-2-aldehyde
    • 2-thiophene aldehyde
    • 2-thiophene-aldehyde
    • thien-2-carbaldehyde
    • 2Thienylcarboxaldehyde
    • Thiophene2carbaldehyde
    • 2-thiophencarbaldehyde
    • 2-Thiophenic aldehyde
    • alpha -formylthiophene
    • thiophene carboxaldehyde
    • thiophen 2-carbaldehyde
    • thiophen-2 carbaldehyde
    • Thiophenecarbox-aldehyde
    • thiophene 2-carbaldehyde
    • Pyrantel impurity C CRS
    • thiophen-2-carboxaldehyde
    • 2-thiophene-carboxaldehyde
    • thiopbene-2-carboxaldehyde
    • alphaThiophenecarboxaldehyde
    • WLN: T5SJ BVH
    • ALPHA-THIOPHENALDEHYDE
    • SCHEMBL31206
    • alpha -thiophenecarboxaldehyde
    • BIDD:GT0227
    • 2-Thiophenecarboxaldehyde, 98%
    • DTXCID4031229
    • NSC2162
    • HY-W012941R
    • NSC-2162
    • 2-Thiophenecarboxaldehyde (Standard)
    • AC8106
    • BDBM50071926
    • STL194296
    • AKOS000119051
    • AC-4923
    • CS-W013657
    • FT34619
    • HY-W012941
    • PS-9245
    • BP-10496
    • SY001071
    • DB-057703
    • NS00005456
    • T0725
    • EN300-18990
    • 2-Thiophenecarboxaldehyde, (stabilized with HQ)
    • Q27159509
    • F2190-0580
    • Z104472120
    • 202-629-8

  • Applications

    2-Thiophenecarboxaldehyde (CAS 98-03-3) is a versatile building block in organic synthesis, primarily used as an intermediate to access thiophene-containing heterocycles for pharmaceutical development and other industrial intermediates. It is also employed as an intermediate for dyes and pigments and may be incorporated into coatings and inks to introduce thiophene functionality into materials. In polymer and materials science, it can serve as a precursor for thiophene-containing polymers used in electronic and functional material applications. In fragrance and cosmetic contexts, it is evaluated as a fragrance ingredient or scent precursor. It may also be considered for agrochemical applications as a synthetic building block; all uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 77.92
    methanol 79.86
    isopropanol 50.49
    water 5.21
    ethyl acetate 65.51
    n-propanol 69.0
    acetone 96.22
    n-butanol 62.22
    acetonitrile 63.84
    DMF 183.03
    toluene 14.19
    isobutanol 46.85
    1,4-dioxane 94.52
    methyl acetate 100.68
    THF 124.36
    2-butanone 104.61
    n-pentanol 64.1
    sec-butanol 58.48
    n-hexane 3.11
    ethylene glycol 43.9
    NMP 178.67
    cyclohexane 4.01
    DMSO 134.6
    n-butyl acetate 69.3
    n-octanol 53.18
    chloroform 129.56
    n-propyl acetate 83.74
    acetic acid 170.2
    dichloromethane 89.42
    cyclohexanone 110.52
    propylene glycol 49.66
    isopropyl acetate 45.39
    DMAc 145.91
    2-ethoxyethanol 129.57
    isopentanol 54.45
    n-heptane 6.47
    ethyl formate 63.92
    1,2-dichloroethane 63.82
    n-hexanol 61.31
    2-methoxyethanol 149.64
    isobutyl acetate 58.07
    tetrachloromethane 17.65
    n-pentyl acetate 54.8
    transcutol 579.58
    n-heptanol 48.29
    ethylbenzene 19.01
    MIBK 58.09
    2-propoxyethanol 122.95
    tert-butanol 61.16
    MTBE 39.95
    2-butoxyethanol 106.95
    propionic acid 111.36
    o-xylene 19.64
    formic acid 93.77
    diethyl ether 39.16
    m-xylene 17.74
    p-xylene 30.37
    chlorobenzene 43.97
    dimethyl carbonate 45.34
    n-octane 3.51
    formamide 172.05
    cyclopentanone 135.7
    2-pentanone 69.94
    anisole 75.03
    cyclopentyl methyl ether 54.95
    gamma-butyrolactone 154.36
    1-methoxy-2-propanol 122.38
    pyridine 101.57
    3-pentanone 54.98
    furfural 189.54
    n-dodecane 4.19
    diethylene glycol 119.0
    diisopropyl ether 16.45
    tert-amyl alcohol 67.12
    acetylacetone 89.11
    n-hexadecane 4.59
    acetophenone 90.73
    methyl propionate 65.84
    isopentyl acetate 63.14
    trichloroethylene 185.94
    n-nonanol 48.29
    cyclohexanol 48.49
    benzyl alcohol 74.13
    2-ethylhexanol 45.54
    isooctanol 44.71
    dipropyl ether 42.56
    1,2-dichlorobenzene 55.75
    ethyl lactate 63.2
    propylene carbonate 100.05
    n-methylformamide 118.91
    2-pentanol 46.85
    n-pentane 2.98
    1-propoxy-2-propanol 97.96
    1-methoxy-2-propyl acetate 82.76
    2-(2-methoxypropoxy) propanol 129.92
    mesitylene 15.04
    ε-caprolactone 109.94
    p-cymene 23.5
    epichlorohydrin 141.22
    1,1,1-trichloroethane 68.27
    2-aminoethanol 82.78
    morpholine-4-carbaldehyde 188.02
    sulfolane 172.55
    2,2,4-trimethylpentane 4.7
    2-methyltetrahydrofuran 86.2
    n-hexyl acetate 80.14
    isooctane 4.3
    2-(2-butoxyethoxy)ethanol 183.27
    sec-butyl acetate 54.39
    tert-butyl acetate 61.49
    decalin 5.89
    glycerin 90.51
    diglyme 272.33
    acrylic acid 121.76
    isopropyl myristate 37.58
    n-butyric acid 99.7
    acetyl acetate 50.79
    di(2-ethylhexyl) phthalate 42.02
    ethyl propionate 62.33
    nitromethane 245.99
    1,2-diethoxyethane 96.14
    benzonitrile 74.25
    trioctyl phosphate 30.83
    1-bromopropane 26.82
    gamma-valerolactone 177.28
    n-decanol 36.96
    triethyl phosphate 40.14
    4-methyl-2-pentanol 37.01
    propionitrile 54.07
    vinylene carbonate 108.06
    1,1,2-trichlorotrifluoroethane 174.43
    DMS 69.35
    cumene 21.28
    2-octanol 35.47
    2-hexanone 90.74
    octyl acetate 46.13
    limonene 30.99
    1,2-dimethoxyethane 162.9
    ethyl orthosilicate 38.71
    tributyl phosphate 35.92
    diacetone alcohol 101.89
    N,N-dimethylaniline 60.56
    acrylonitrile 84.9
    aniline 48.54
    1,3-propanediol 89.79
    bromobenzene 32.64
    dibromomethane 52.62
    1,1,2,2-tetrachloroethane 138.34
    2-methyl-cyclohexyl acetate 64.47
    tetrabutyl urea 51.69
    diisobutyl methanol 31.76
    2-phenylethanol 73.39
    styrene 22.93
    dioctyl adipate 60.88
    dimethyl sulfate 73.63
    ethyl butyrate 61.35
    methyl lactate 68.95
    butyl lactate 64.29
    diethyl carbonate 46.96
    propanediol butyl ether 127.48
    triethyl orthoformate 50.79
    p-tert-butyltoluene 22.14
    methyl 4-tert-butylbenzoate 94.9
    morpholine 114.95
    tert-butylamine 36.47
    n-dodecanol 29.12
    dimethoxymethane 85.42
    ethylene carbonate 69.15
    cyrene 128.99
    2-ethoxyethyl acetate 81.94
    2-ethylhexyl acetate 50.06
    1,2,4-trichlorobenzene 75.34
    4-methylpyridine 76.72
    dibutyl ether 46.59
    2,6-dimethyl-4-heptanol 31.76
    DEF 90.12
    dimethyl isosorbide 170.09
    tetrachloroethylene 92.81
    eugenol 118.35
    triacetin 104.47
    span 80 103.67
    1,4-butanediol 52.63
    1,1-dichloroethane 59.4
    2-methyl-1-pentanol 58.1
    methyl formate 84.7
    2-methyl-1-butanol 54.31
    n-decane 6.15
    butyronitrile 48.66
    3,7-dimethyl-1-octanol 49.68
    1-chlorooctane 25.77
    1-chlorotetradecane 12.13
    n-nonane 5.43
    undecane 4.98
    tert-butylcyclohexane 6.99
    cyclooctane 2.0
    cyclopentanol 58.85
    tetrahydropyran 69.12
    tert-amyl methyl ether 40.39
    2,5,8-trioxanonane 211.99
    1-hexene 16.52
    2-isopropoxyethanol 99.09
    2,2,2-trifluoroethanol 94.27
    methyl butyrate 86.92

    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
Spinach, cooked Spinacia oleracea L., fam. Oleraceae 0.01%