2,3,4,5-Tetramethylthiophene

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  • Identifiers

    CAS number
    14503-51-6

    Molecular formula
    C8H12S

    SMILES
    CC1=C(SC(=C1C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 68.19%
    Meaty 61.25%
    Nutty 54.18%
    Burnt 53.77%
    Coffee 48.32%
    Musty 45.12%
    Earthy 41.73%
    Sulfurous 39.57%
    Vegetable 34.53%
    Cocoa 33.57%

     

    Flavor
    Nutty 62.17%
    Roasted 48.12%
    Musty 47.86%
    Cocoa 45.53%
    Burnt 42.86%
    Coffee 42.84%
    Earthy 40.44%
    Meaty 37.04%
    Hazelnut 36.36%
    Roast 32.04%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.22 (weak base)

    Molecular weight
    140.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    205°C

    Flash point

    • 49.84 ˚C est.

  • Synonyms

    • 2,3,4,5-tetramethylthiophene
    • 14503-51-6
    • tetramethylthiophene
    • Thiophene, tetramethyl-
    • Thiophene, 2,3,4,5-tetramethyl-
    • MFCD07368974
    • Thiophene,tetramethyl-
    • SCHEMBL115557
    • SCHEMBL294115
    • SCHEMBL2814116
    • SCHEMBL2814117
    • 2,3,4,5-Tetramethyl-thiophene
    • DTXSID60162870
    • IYULAUPEFMQEKK-UHFFFAOYSA-N
    • GEO-02283
    • AKOS005255894
    • 14503-51-6

  • Applications

    2,3,4,5-Tetramethylthiophene (CAS 14503-51-6) is a highly substituted thiophene derivative that is primarily used as an organic synthesis intermediate. In industrial practice, it may serve as a building block for thiophene-based derivatives and for conjugated polymers, including conducting polymers used in organic electronics, as well as for functional coatings or specialty inks. It may also be a precursor for the synthesis of heterocyclic compounds and other industrial intermediates. Due to its methyl substituents and aromatic stability, it may be considered a platform for materials design in electronic and optoelectronic applications, subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 182.48
    methanol 195.1
    isopropanol 140.83
    water 3.53
    ethyl acetate 307.56
    n-propanol 187.15
    acetone 268.68
    n-butanol 193.63
    acetonitrile 192.78
    DMF 397.61
    toluene 314.55
    isobutanol 135.93
    1,4-dioxane 660.38
    methyl acetate 281.13
    THF 781.59
    2-butanone 303.98
    n-pentanol 148.12
    sec-butanol 164.28
    n-hexane 116.2
    ethylene glycol 33.06
    NMP 514.84
    cyclohexane 144.04
    DMSO 218.51
    n-butyl acetate 285.68
    n-octanol 113.47
    chloroform 850.28
    n-propyl acetate 209.53
    acetic acid 148.7
    dichloromethane 680.61
    cyclohexanone 466.99
    propylene glycol 42.85
    isopropyl acetate 232.3
    DMAc 386.87
    2-ethoxyethanol 220.83
    isopentanol 161.39
    n-heptane 120.41
    ethyl formate 185.94
    1,2-dichloroethane 432.15
    n-hexanol 217.21
    2-methoxyethanol 297.24
    isobutyl acetate 166.96
    tetrachloromethane 314.47
    n-pentyl acetate 210.64
    transcutol 415.25
    n-heptanol 138.1
    ethylbenzene 208.19
    MIBK 219.62
    2-propoxyethanol 335.08
    tert-butanol 185.53
    MTBE 319.79
    2-butoxyethanol 219.22
    propionic acid 139.46
    o-xylene 235.91
    formic acid 66.79
    diethyl ether 422.29
    m-xylene 236.58
    p-xylene 265.45
    chlorobenzene 380.1
    dimethyl carbonate 150.61
    n-octane 54.11
    formamide 145.29
    cyclopentanone 530.76
    2-pentanone 289.73
    anisole 397.78
    cyclopentyl methyl ether 479.19
    gamma-butyrolactone 484.75
    1-methoxy-2-propanol 231.61
    pyridine 446.61
    3-pentanone 269.16
    furfural 465.94
    n-dodecane 32.67
    diethylene glycol 156.07
    diisopropyl ether 190.12
    tert-amyl alcohol 205.96
    acetylacetone 301.16
    n-hexadecane 38.0
    acetophenone 303.33
    methyl propionate 247.25
    isopentyl acetate 283.83
    trichloroethylene 731.41
    n-nonanol 120.19
    cyclohexanol 214.57
    benzyl alcohol 199.67
    2-ethylhexanol 183.77
    isooctanol 125.4
    dipropyl ether 321.69
    1,2-dichlorobenzene 398.63
    ethyl lactate 89.57
    propylene carbonate 282.78
    n-methylformamide 204.31
    2-pentanol 158.63
    n-pentane 99.2
    1-propoxy-2-propanol 246.67
    1-methoxy-2-propyl acetate 289.46
    2-(2-methoxypropoxy) propanol 193.26
    mesitylene 176.84
    ε-caprolactone 393.94
    p-cymene 176.5
    epichlorohydrin 583.15
    1,1,1-trichloroethane 583.63
    2-aminoethanol 84.53
    morpholine-4-carbaldehyde 520.8
    sulfolane 462.73
    2,2,4-trimethylpentane 64.99
    2-methyltetrahydrofuran 619.71
    n-hexyl acetate 241.12
    isooctane 50.37
    2-(2-butoxyethoxy)ethanol 233.6
    sec-butyl acetate 184.24
    tert-butyl acetate 290.72
    decalin 104.1
    glycerin 63.53
    diglyme 470.55
    acrylic acid 118.68
    isopropyl myristate 144.96
    n-butyric acid 216.01
    acetyl acetate 219.57
    di(2-ethylhexyl) phthalate 109.38
    ethyl propionate 218.28
    nitromethane 297.47
    1,2-diethoxyethane 339.32
    benzonitrile 241.77
    trioctyl phosphate 80.89
    1-bromopropane 352.72
    gamma-valerolactone 600.17
    n-decanol 92.66
    triethyl phosphate 168.71
    4-methyl-2-pentanol 109.6
    propionitrile 211.14
    vinylene carbonate 273.5
    1,1,2-trichlorotrifluoroethane 331.23
    DMS 207.5
    cumene 161.18
    2-octanol 103.18
    2-hexanone 244.34
    octyl acetate 156.03
    limonene 234.32
    1,2-dimethoxyethane 445.75
    ethyl orthosilicate 177.25
    tributyl phosphate 98.93
    diacetone alcohol 217.57
    N,N-dimethylaniline 305.8
    acrylonitrile 215.19
    aniline 268.07
    1,3-propanediol 125.98
    bromobenzene 422.97
    dibromomethane 505.54
    1,1,2,2-tetrachloroethane 592.69
    2-methyl-cyclohexyl acetate 265.47
    tetrabutyl urea 134.5
    diisobutyl methanol 127.46
    2-phenylethanol 257.82
    styrene 241.54
    dioctyl adipate 167.14
    dimethyl sulfate 208.41
    ethyl butyrate 259.82
    methyl lactate 106.51
    butyl lactate 119.58
    diethyl carbonate 185.01
    propanediol butyl ether 108.97
    triethyl orthoformate 228.46
    p-tert-butyltoluene 185.91
    methyl 4-tert-butylbenzoate 280.18
    morpholine 596.98
    tert-butylamine 161.22
    n-dodecanol 74.41
    dimethoxymethane 402.25
    ethylene carbonate 235.24
    cyrene 240.48
    2-ethoxyethyl acetate 271.34
    2-ethylhexyl acetate 278.23
    1,2,4-trichlorobenzene 416.01
    4-methylpyridine 448.28
    dibutyl ether 202.39
    2,6-dimethyl-4-heptanol 127.46
    DEF 326.94
    dimethyl isosorbide 436.74
    tetrachloroethylene 466.87
    eugenol 230.05
    triacetin 205.7
    span 80 174.73
    1,4-butanediol 56.93
    1,1-dichloroethane 459.1
    2-methyl-1-pentanol 150.95
    methyl formate 163.93
    2-methyl-1-butanol 166.4
    n-decane 55.69
    butyronitrile 224.85
    3,7-dimethyl-1-octanol 130.78
    1-chlorooctane 140.0
    1-chlorotetradecane 70.69
    n-nonane 53.66
    undecane 40.82
    tert-butylcyclohexane 100.22
    cyclooctane 85.82
    cyclopentanol 233.33
    tetrahydropyran 556.84
    tert-amyl methyl ether 300.77
    2,5,8-trioxanonane 340.71
    1-hexene 203.34
    2-isopropoxyethanol 184.66
    2,2,2-trifluoroethanol 105.57
    methyl butyrate 240.89

    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