3-Methyl-2-thiophenecarboxaldehyde

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  • Identifiers

    CAS number
    5834-16-2

    Molecular formula
    C6H6OS

    SMILES
    CC1=C(SC=C1)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 71.8%
    Nutty 57.47%
    Almond 51.85%
    Roasted 46.64%
    Caramellic 44.14%
    Coffee 38.76%
    Burnt 38.14%
    Sulfurous 37.91%
    Spicy 36.89%
    Cherry 35.41%

     

    Flavor
    Sulfur 52.06%
    Nutty 42.04%
    Almond 40.46%
    Woody 39.04%
    Sulfurous 31.92%
    Coffee 31.58%
    Oily 31.16%
    Chocolate 30.45%
    Roasted 29.54%
    Popcorn 28.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    5.15 (weak acid)

    Molecular weight
    126.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    205°C

    Flash point

    • 66.17 ˚C est.

  • Synonyms

    • 3-Methyl-2-thiophenecarboxaldehyde
    • 5834-16-2
    • 3-Methylthiophene-2-carboxaldehyde
    • 3-Methylthiophene-2-carbaldehyde
    • 2-formyl-3-methylthiophene
    • 3-Methylthiophene-2-aldehyde
    • 3-Methyl-2-formylthiophene
    • 2-Thiophenecarboxaldehyde, 3-methyl-
    • 3-Methyl-2-thiophenecarboxaldehyde ,tech
    • ZHC9WE8PS0
    • MFCD00005430
    • 3-Methyl-2-thiophenecarbaldehyde
    • 3-Methyl-2-thiophene carboxaldehyde
    • EINECS 227-418-8
    • UNII-ZHC9WE8PS0
    • thiophene, 3-Methyl, 2-formyl
    • 3-Methyl-2-thiophenecarboxaldehyde, tech grade
    • 3-methyl-2-thiophencarboxaldehyde
    • 3-Methylthiophen-2-carboxaldehyde
    • DTXSID80207070
    • 3-Methyl-2-carboxaldehyde-thiophene
    • MORANTEL HYDROGEN TARTRATE IMPURITY E [EP IMPURITY]
    • MORANTEL HYDROGEN TARTRATE IMPURITY E (EP IMPURITY)
    • 2-Formyl-3-methylthiophene; 3-Methyl-2-formylthiophene; 3-Methylthiophene-2-aldehyde; 3-Methylthiophene-2-carbaldehyde
    • 3-Methylthiophen-2-aldehyde
    • BIDD:GT0155
    • SCHEMBL447131
    • 3-methylthiophene carboxaldehyde
    • 3-METHYL-2-THENALDEHYDE
    • 3-methylthiophene-2-carboaldehyde
    • DTXCID80129561
    • 3-methyl-thiophene-2-carbaldehyde
    • 3-methyl-thiophene-2-carboxaldehyde
    • GEO-01955
    • STK801368
    • AKOS000119473
    • PS-3269
    • SY008987
    • CS-0071758
    • M0899
    • NS00033907
    • EN300-20132
    • F2190-0652
    • Z104477012
    • 3-Methyl-2-thiophenecarboxaldehyde, 90%, technical grade
    • 699531-50-5

  • Applications

    3-Methyl-2-thiophenecarboxaldehyde (CAS 5834-16-2) is a heteroaromatic aldehyde commonly used as an odorant and fragrance intermediate in perfumery and cosmetics, contributing sulfur-containing, green-to-fruity notes. It also serves as a synthetic building block for the preparation of substituted thiophene derivatives in industrial manufacturing and materials research. In coatings and inks, and in household products, it may function as a fragrance component or precursor for functionalized thiophene structures. It is sometimes evaluated as an intermediate in pharmaceutical, agrochemical, or related industrial syntheses, providing a versatile route to heteroaromatic compounds. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 120.36
    methanol 109.31
    isopropanol 97.77
    water 5.48
    ethyl acetate 180.64
    n-propanol 115.38
    acetone 246.75
    n-butanol 98.88
    acetonitrile 182.21
    DMF 395.57
    toluene 66.57
    isobutanol 83.91
    1,4-dioxane 392.98
    methyl acetate 233.22
    THF 335.95
    2-butanone 236.11
    n-pentanol 78.17
    sec-butanol 106.18
    n-hexane 8.71
    ethylene glycol 57.52
    NMP 342.44
    cyclohexane 18.13
    DMSO 302.77
    n-butyl acetate 112.24
    n-octanol 56.25
    chloroform 421.55
    n-propyl acetate 128.71
    acetic acid 195.34
    dichloromethane 304.08
    cyclohexanone 264.78
    propylene glycol 70.99
    isopropyl acetate 106.08
    DMAc 276.24
    2-ethoxyethanol 173.08
    isopentanol 85.3
    n-heptane 12.72
    ethyl formate 122.87
    1,2-dichloroethane 231.05
    n-hexanol 87.73
    2-methoxyethanol 261.89
    isobutyl acetate 83.78
    tetrachloromethane 85.93
    n-pentyl acetate 77.66
    transcutol 564.07
    n-heptanol 58.42
    ethylbenzene 50.51
    MIBK 114.55
    2-propoxyethanol 183.92
    tert-butanol 133.58
    MTBE 99.6
    2-butoxyethanol 127.58
    propionic acid 167.49
    o-xylene 61.79
    formic acid 110.2
    diethyl ether 124.9
    m-xylene 60.86
    p-xylene 82.8
    chlorobenzene 132.1
    dimethyl carbonate 110.87
    n-octane 6.59
    formamide 248.66
    cyclopentanone 314.65
    2-pentanone 152.59
    anisole 159.77
    cyclopentyl methyl ether 152.09
    gamma-butyrolactone 345.94
    1-methoxy-2-propanol 210.73
    pyridine 264.14
    3-pentanone 138.76
    furfural 342.53
    n-dodecane 6.02
    diethylene glycol 177.77
    diisopropyl ether 44.74
    tert-amyl alcohol 114.16
    acetylacetone 210.87
    n-hexadecane 6.93
    acetophenone 155.69
    methyl propionate 159.4
    isopentyl acetate 102.86
    trichloroethylene 502.9
    n-nonanol 54.26
    cyclohexanol 110.48
    benzyl alcohol 115.89
    2-ethylhexanol 63.3
    isooctanol 53.63
    dipropyl ether 72.93
    1,2-dichlorobenzene 140.38
    ethyl lactate 83.31
    propylene carbonate 191.62
    n-methylformamide 214.92
    2-pentanol 78.45
    n-pentane 9.51
    1-propoxy-2-propanol 137.5
    1-methoxy-2-propyl acetate 152.53
    2-(2-methoxypropoxy) propanol 152.51
    mesitylene 43.9
    ε-caprolactone 224.68
    p-cymene 39.99
    epichlorohydrin 350.53
    1,1,1-trichloroethane 293.81
    2-aminoethanol 106.26
    morpholine-4-carbaldehyde 350.17
    sulfolane 374.61
    2,2,4-trimethylpentane 8.37
    2-methyltetrahydrofuran 251.68
    n-hexyl acetate 113.31
    isooctane 7.93
    2-(2-butoxyethoxy)ethanol 200.04
    sec-butyl acetate 88.74
    tert-butyl acetate 137.76
    decalin 14.34
    glycerin 119.6
    diglyme 348.16
    acrylic acid 173.38
    isopropyl myristate 53.69
    n-butyric acid 160.07
    acetyl acetate 128.31
    di(2-ethylhexyl) phthalate 53.93
    ethyl propionate 113.39
    nitromethane 459.56
    1,2-diethoxyethane 154.34
    benzonitrile 133.75
    trioctyl phosphate 39.26
    1-bromopropane 99.37
    gamma-valerolactone 388.82
    n-decanol 42.69
    triethyl phosphate 64.52
    4-methyl-2-pentanol 57.22
    propionitrile 135.71
    vinylene carbonate 197.58
    1,1,2-trichlorotrifluoroethane 304.81
    DMS 127.09
    cumene 41.59
    2-octanol 43.85
    2-hexanone 136.52
    octyl acetate 66.12
    limonene 56.13
    1,2-dimethoxyethane 285.06
    ethyl orthosilicate 60.1
    tributyl phosphate 48.47
    diacetone alcohol 188.58
    N,N-dimethylaniline 102.7
    acrylonitrile 199.06
    aniline 121.91
    1,3-propanediol 137.49
    bromobenzene 120.46
    dibromomethane 188.44
    1,1,2,2-tetrachloroethane 364.92
    2-methyl-cyclohexyl acetate 92.52
    tetrabutyl urea 67.36
    diisobutyl methanol 45.02
    2-phenylethanol 121.53
    styrene 60.47
    dioctyl adipate 78.5
    dimethyl sulfate 182.74
    ethyl butyrate 93.67
    methyl lactate 115.65
    butyl lactate 76.62
    diethyl carbonate 76.15
    propanediol butyl ether 116.2
    triethyl orthoformate 77.27
    p-tert-butyltoluene 39.46
    methyl 4-tert-butylbenzoate 129.88
    morpholine 351.67
    tert-butylamine 77.73
    n-dodecanol 33.62
    dimethoxymethane 200.04
    ethylene carbonate 152.39
    cyrene 167.49
    2-ethoxyethyl acetate 123.15
    2-ethylhexyl acetate 83.95
    1,2,4-trichlorobenzene 176.7
    4-methylpyridine 196.09
    dibutyl ether 63.11
    2,6-dimethyl-4-heptanol 45.02
    DEF 170.64
    dimethyl isosorbide 249.27
    tetrachloroethylene 251.44
    eugenol 150.45
    triacetin 137.53
    span 80 124.61
    1,4-butanediol 61.89
    1,1-dichloroethane 246.74
    2-methyl-1-pentanol 71.54
    methyl formate 159.73
    2-methyl-1-butanol 80.96
    n-decane 9.06
    butyronitrile 104.66
    3,7-dimethyl-1-octanol 59.0
    1-chlorooctane 40.27
    1-chlorotetradecane 18.36
    n-nonane 8.21
    undecane 7.24
    tert-butylcyclohexane 13.68
    cyclooctane 6.89
    cyclopentanol 131.97
    tetrahydropyran 247.85
    tert-amyl methyl ether 88.43
    2,5,8-trioxanonane 268.31
    1-hexene 37.46
    2-isopropoxyethanol 131.41
    2,2,2-trifluoroethanol 145.81
    methyl butyrate 143.62

    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