3,4-Diethylthiophene

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  • Identifiers

    CAS number
    35686-14-7

    Molecular formula
    C8H12S

    SMILES
    CCC1=CSC=C1CC

    Safety labels

  • Odor profile

    Fragrance
    Roasted 64.31%
    Meaty 54.83%
    Burnt 44.56%
    Sulfurous 39.11%
    Onion 38.91%
    Coffee 38.21%
    Nutty 36.74%
    Savory 36.32%
    Green 33.75%
    Vegetable 33.38%

     

    Flavor
    Green 64.92%
    Nutty 61.49%
    Fruity 54.08%
    Earthy 52.36%
    Spicy 46.99%
    Meaty 42.12%
    Vegetable 41.86%
    Fatty 41.29%
    Woody 41.21%
    Citrus 40.59%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.32 (weak base)

    Molecular weight
    140.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    190°C

    Flash point

    • 46.3 ˚C est.

  • Synonyms

    • 3,4-Diethylthiophene
    • Thiophene, 3,4-diethyl-
    • 35686-14-7
    • UNII-1VA6H491OV
    • 1VA6H491OV
    • DTXSID10334449
    • RefChem:91060
    • DTXCID20285539
    • KWMRVTDUWMBHRV-UHFFFAOYSA-N
    • 3,4-diethyl thiophene
    • 3,4-diethyl-thiophene
    • 3,4-Diethylthiophene #
    • SCHEMBL983719
    • SCHEMBL2974014
    • CHEBI:195866
    • MFCD18451712
    • AKOS006373006
    • Q27252951
    • 35686-14-7

  • Applications

    3,4-Diethylthiophene (CAS 35686-14-7) is primarily used as an intermediate in organic synthesis and materials development, serving as a building block or monomer precursor for polythiophene-based polymers and other conductive polymers used in electronics and optoelectronics. In coatings and inks, it can function as a building block for specialty coatings and conductive inks. In perfumery, fragrance, 3,4-Diethylthiophene may be considered a fragrance intermediate or odorant precursor due to the sulfur-containing nature of the thiophene ring. In fine chemicals and chemical manufacturing, it is often used as an intermediate for the synthesis of complex aromatic compounds and other thiophene derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 195.65
    methanol 208.11
    isopropanol 155.89
    water 0.24
    ethyl acetate 579.32
    n-propanol 203.21
    acetone 732.89
    n-butanol 215.92
    acetonitrile 458.68
    DMF 751.57
    toluene 673.19
    isobutanol 161.56
    1,4-dioxane 1370.48
    methyl acetate 478.33
    THF 1840.22
    2-butanone 563.51
    n-pentanol 180.48
    sec-butanol 160.85
    n-hexane 242.86
    ethylene glycol 37.12
    NMP 1197.79
    cyclohexane 401.66
    DMSO 658.17
    n-butyl acetate 847.74
    n-octanol 203.48
    chloroform 1530.46
    n-propyl acetate 504.08
    acetic acid 176.7
    dichloromethane 1659.56
    cyclohexanone 1397.97
    propylene glycol 41.35
    isopropyl acetate 439.72
    DMAc 487.01
    2-ethoxyethanol 253.41
    isopentanol 202.79
    n-heptane 256.93
    ethyl formate 321.09
    1,2-dichloroethane 1213.67
    n-hexanol 341.87
    2-methoxyethanol 343.3
    isobutyl acetate 410.04
    tetrachloromethane 569.56
    n-pentyl acetate 490.69
    transcutol 737.23
    n-heptanol 201.02
    ethylbenzene 332.65
    MIBK 448.5
    2-propoxyethanol 504.5
    tert-butanol 234.72
    MTBE 436.18
    2-butoxyethanol 302.7
    propionic acid 188.94
    o-xylene 351.64
    formic acid 36.33
    diethyl ether 692.84
    m-xylene 441.56
    p-xylene 384.35
    chlorobenzene 864.36
    dimethyl carbonate 252.8
    n-octane 114.09
    formamide 80.88
    cyclopentanone 1577.58
    2-pentanone 625.29
    anisole 531.74
    cyclopentyl methyl ether 972.37
    gamma-butyrolactone 1398.46
    1-methoxy-2-propanol 276.43
    pyridine 1065.74
    3-pentanone 534.02
    furfural 970.14
    n-dodecane 71.9
    diethylene glycol 259.57
    diisopropyl ether 301.2
    tert-amyl alcohol 201.37
    acetylacetone 703.49
    n-hexadecane 87.06
    acetophenone 470.67
    methyl propionate 443.95
    isopentyl acetate 684.97
    trichloroethylene 1757.13
    n-nonanol 193.97
    cyclohexanol 343.43
    benzyl alcohol 271.83
    2-ethylhexanol 315.26
    isooctanol 183.88
    dipropyl ether 665.94
    1,2-dichlorobenzene 815.94
    ethyl lactate 152.54
    propylene carbonate 693.21
    n-methylformamide 281.5
    2-pentanol 176.21
    n-pentane 182.0
    1-propoxy-2-propanol 405.39
    1-methoxy-2-propyl acetate 581.07
    2-(2-methoxypropoxy) propanol 256.15
    mesitylene 354.7
    ε-caprolactone 932.41
    p-cymene 298.39
    epichlorohydrin 1397.4
    1,1,1-trichloroethane 1237.34
    2-aminoethanol 70.48
    morpholine-4-carbaldehyde 1044.59
    sulfolane 1559.9
    2,2,4-trimethylpentane 93.06
    2-methyltetrahydrofuran 1251.86
    n-hexyl acetate 568.04
    isooctane 95.23
    2-(2-butoxyethoxy)ethanol 355.07
    sec-butyl acetate 356.45
    tert-butyl acetate 550.25
    decalin 199.43
    glycerin 73.72
    diglyme 789.62
    acrylic acid 165.33
    isopropyl myristate 274.9
    n-butyric acid 333.4
    acetyl acetate 389.06
    di(2-ethylhexyl) phthalate 193.25
    ethyl propionate 441.5
    nitromethane 473.36
    1,2-diethoxyethane 705.39
    benzonitrile 544.98
    trioctyl phosphate 158.28
    1-bromopropane 740.36
    gamma-valerolactone 1413.62
    n-decanol 153.63
    triethyl phosphate 269.84
    4-methyl-2-pentanol 136.93
    propionitrile 436.41
    vinylene carbonate 634.14
    1,1,2-trichlorotrifluoroethane 507.38
    DMS 425.47
    cumene 238.87
    2-octanol 159.4
    2-hexanone 536.11
    octyl acetate 298.35
    limonene 467.17
    1,2-dimethoxyethane 751.98
    ethyl orthosilicate 266.06
    tributyl phosphate 201.3
    diacetone alcohol 353.22
    N,N-dimethylaniline 371.85
    acrylonitrile 453.56
    aniline 403.03
    1,3-propanediol 132.4
    bromobenzene 1088.86
    dibromomethane 1215.01
    1,1,2,2-tetrachloroethane 1291.81
    2-methyl-cyclohexyl acetate 470.77
    tetrabutyl urea 285.86
    diisobutyl methanol 227.2
    2-phenylethanol 373.8
    styrene 445.31
    dioctyl adipate 311.52
    dimethyl sulfate 390.73
    ethyl butyrate 587.53
    methyl lactate 158.07
    butyl lactate 232.69
    diethyl carbonate 361.32
    propanediol butyl ether 171.79
    triethyl orthoformate 400.72
    p-tert-butyltoluene 299.68
    methyl 4-tert-butylbenzoate 387.86
    morpholine 1082.32
    tert-butylamine 189.55
    n-dodecanol 128.62
    dimethoxymethane 667.45
    ethylene carbonate 600.0
    cyrene 312.71
    2-ethoxyethyl acetate 571.17
    2-ethylhexyl acetate 648.97
    1,2,4-trichlorobenzene 822.68
    4-methylpyridine 1041.5
    dibutyl ether 503.15
    2,6-dimethyl-4-heptanol 227.2
    DEF 650.51
    dimethyl isosorbide 688.46
    tetrachloroethylene 1008.07
    eugenol 327.67
    triacetin 361.67
    span 80 255.08
    1,4-butanediol 68.84
    1,1-dichloroethane 995.79
    2-methyl-1-pentanol 179.56
    methyl formate 287.01
    2-methyl-1-butanol 187.06
    n-decane 118.63
    butyronitrile 442.32
    3,7-dimethyl-1-octanol 211.71
    1-chlorooctane 331.45
    1-chlorotetradecane 155.44
    n-nonane 128.96
    undecane 88.71
    tert-butylcyclohexane 173.99
    cyclooctane 202.76
    cyclopentanol 385.23
    tetrahydropyran 1258.92
    tert-amyl methyl ether 359.85
    2,5,8-trioxanonane 513.68
    1-hexene 420.15
    2-isopropoxyethanol 219.33
    2,2,2-trifluoroethanol 89.71
    methyl butyrate 551.84

    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