3-Ethenylthiophene

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  • Identifiers

    CAS number
    13679-64-6

    Molecular formula
    C6H6S

    SMILES
    C=CC1=CSC=C1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Pungent 49.12%
    Nutty 42.42%
    Spicy 41.25%
    Sulfurous 39.56%
    Burnt 33.99%
    Almond 33.43%
    Alliaceous 32.9%
    Roasted 32.36%
    Garlic 31.15%
    Onion 31.12%

     

    Flavor
    Nutty 38.95%
    Green 35.4%
    Woody 33.76%
    Sweet 29.61%
    Sulfur 25.71%
    Floral 25.07%
    Spicy 24.44%
    Pungent 24.41%
    Horseradish 23.94%
    Oily 23.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.79 (neutral)

    Molecular weight
    110.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    147°C

    Flash point

    • 21.16 ˚C est.

  • Synonyms

    • 3-ethenylthiophene
    • RefChem:501123
    • 831-312-2
    • 3-VINYLTHIOPHENE
    • 13679-64-6
    • Thiophene, 3-ethenyl-
    • MFCD07438049
    • 3-vinyl thiophene
    • Thiophene,3-ethenyl-
    • SCHEMBL343543
    • SCHEMBL487376
    • SCHEMBL8912766
    • SCHEMBL13123527
    • SCHEMBL14056164
    • SCHEMBL16289333
    • SCHEMBL16289438
    • DTXSID70447084
    • NAA67964
    • AKOS006286336
    • 3-VINYLTHIOPHENE,TBC AS STABILIZER
    • PS-11981
    • SY024252
    • CS-0158015
    • D84207
    • EN300-300351
    • F690127
    • 13679-64-6

  • Applications

    3-Ethenylthiophene (CAS 13679-64-6) is a thiophene-based monomer with an ethenyl group used primarily in polymer synthesis and electronic materials. In the polymers/plastics arena, it is employed as a comonomer or crosslinkable unit to form polythiophene and copolymers with enhanced conductive and functional properties. In electronics, polymers incorporating thiophene derivatives serve as organic semiconductors for sensors, organic light-emitting diodes, and photovoltaic devices. In coatings and inks, 3-Ethenylthiophene can be incorporated to yield functional coatings or conductive inks with electroactive characteristics. In adhesives and industrial materials, it can act as a reactive monomer to tailor network structure and properties. These applications depend on synthesis routes and formulation limits and should be evaluated within local regulations and material compatibility.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 196.62
    methanol 150.07
    isopropanol 120.0
    water 0.17
    ethyl acetate 363.54
    n-propanol 167.05
    acetone 310.74
    n-butanol 191.44
    acetonitrile 172.4
    DMF 190.67
    toluene 395.1
    isobutanol 115.33
    1,4-dioxane 670.83
    methyl acetate 238.46
    THF 879.29
    2-butanone 300.76
    n-pentanol 177.96
    sec-butanol 136.88
    n-hexane 110.73
    ethylene glycol 22.31
    NMP 299.51
    cyclohexane 171.03
    DMSO 273.85
    n-butyl acetate 489.69
    n-octanol 117.77
    chloroform 635.27
    n-propyl acetate 255.19
    acetic acid 123.25
    dichloromethane 581.37
    cyclohexanone 519.65
    propylene glycol 31.29
    isopropyl acetate 220.76
    DMAc 185.59
    2-ethoxyethanol 209.28
    isopentanol 169.79
    n-heptane 164.72
    ethyl formate 150.14
    1,2-dichloroethane 385.12
    n-hexanol 282.82
    2-methoxyethanol 233.17
    isobutyl acetate 176.66
    tetrachloromethane 156.37
    n-pentyl acetate 194.09
    transcutol 939.06
    n-heptanol 114.87
    ethylbenzene 132.8
    MIBK 231.18
    2-propoxyethanol 347.92
    tert-butanol 154.12
    MTBE 265.97
    2-butoxyethanol 173.44
    propionic acid 109.64
    o-xylene 162.0
    formic acid 30.19
    diethyl ether 531.69
    m-xylene 197.18
    p-xylene 142.15
    chlorobenzene 304.44
    dimethyl carbonate 86.82
    n-octane 48.04
    formamide 52.59
    cyclopentanone 483.41
    2-pentanone 345.49
    anisole 267.81
    cyclopentyl methyl ether 475.26
    gamma-butyrolactone 383.28
    1-methoxy-2-propanol 197.08
    pyridine 486.95
    3-pentanone 251.99
    furfural 359.48
    n-dodecane 29.4
    diethylene glycol 158.55
    diisopropyl ether 184.01
    tert-amyl alcohol 150.73
    acetylacetone 321.78
    n-hexadecane 33.97
    acetophenone 204.4
    methyl propionate 202.06
    isopentyl acetate 336.37
    trichloroethylene 590.82
    n-nonanol 114.76
    cyclohexanol 205.33
    benzyl alcohol 152.77
    2-ethylhexanol 215.65
    isooctanol 101.86
    dipropyl ether 445.07
    1,2-dichlorobenzene 240.79
    ethyl lactate 72.78
    propylene carbonate 210.62
    n-methylformamide 92.49
    2-pentanol 158.61
    n-pentane 113.47
    1-propoxy-2-propanol 302.47
    1-methoxy-2-propyl acetate 353.94
    2-(2-methoxypropoxy) propanol 216.35
    mesitylene 132.81
    ε-caprolactone 404.38
    p-cymene 124.68
    epichlorohydrin 509.79
    1,1,1-trichloroethane 374.8
    2-aminoethanol 51.73
    morpholine-4-carbaldehyde 393.34
    sulfolane 364.73
    2,2,4-trimethylpentane 47.76
    2-methyltetrahydrofuran 644.87
    n-hexyl acetate 233.2
    isooctane 53.01
    2-(2-butoxyethoxy)ethanol 302.65
    sec-butyl acetate 182.9
    tert-butyl acetate 261.56
    decalin 76.66
    glycerin 45.29
    diglyme 526.22
    acrylic acid 82.97
    isopropyl myristate 129.04
    n-butyric acid 205.14
    acetyl acetate 205.83
    di(2-ethylhexyl) phthalate 98.64
    ethyl propionate 191.74
    nitromethane 204.06
    1,2-diethoxyethane 596.63
    benzonitrile 219.6
    trioctyl phosphate 70.65
    1-bromopropane 355.89
    gamma-valerolactone 520.14
    n-decanol 91.63
    triethyl phosphate 106.29
    4-methyl-2-pentanol 109.86
    propionitrile 159.88
    vinylene carbonate 201.33
    1,1,2-trichlorotrifluoroethane 222.21
    DMS 169.07
    cumene 94.39
    2-octanol 84.77
    2-hexanone 293.3
    octyl acetate 140.57
    limonene 205.56
    1,2-dimethoxyethane 402.25
    ethyl orthosilicate 117.75
    tributyl phosphate 88.25
    diacetone alcohol 206.06
    N,N-dimethylaniline 163.61
    acrylonitrile 146.28
    aniline 224.9
    1,3-propanediol 96.5
    bromobenzene 362.86
    dibromomethane 456.72
    1,1,2,2-tetrachloroethane 407.28
    2-methyl-cyclohexyl acetate 206.1
    tetrabutyl urea 114.21
    diisobutyl methanol 141.32
    2-phenylethanol 213.45
    styrene 189.07
    dioctyl adipate 150.5
    dimethyl sulfate 108.73
    ethyl butyrate 307.7
    methyl lactate 70.33
    butyl lactate 103.82
    diethyl carbonate 156.47
    propanediol butyl ether 113.75
    triethyl orthoformate 203.68
    p-tert-butyltoluene 122.73
    methyl 4-tert-butylbenzoate 166.55
    morpholine 573.32
    tert-butylamine 129.24
    n-dodecanol 77.86
    dimethoxymethane 278.03
    ethylene carbonate 184.61
    cyrene 174.51
    2-ethoxyethyl acetate 266.36
    2-ethylhexyl acetate 306.65
    1,2,4-trichlorobenzene 267.01
    4-methylpyridine 452.03
    dibutyl ether 272.49
    2,6-dimethyl-4-heptanol 141.32
    DEF 284.27
    dimethyl isosorbide 403.28
    tetrachloroethylene 312.09
    eugenol 167.13
    triacetin 194.4
    span 80 189.33
    1,4-butanediol 47.25
    1,1-dichloroethane 360.38
    2-methyl-1-pentanol 167.35
    methyl formate 78.41
    2-methyl-1-butanol 147.13
    n-decane 49.05
    butyronitrile 224.34
    3,7-dimethyl-1-octanol 140.75
    1-chlorooctane 129.88
    1-chlorotetradecane 63.56
    n-nonane 51.49
    undecane 36.35
    tert-butylcyclohexane 69.26
    cyclooctane 86.43
    cyclopentanol 168.27
    tetrahydropyran 731.59
    tert-amyl methyl ether 221.59
    2,5,8-trioxanonane 409.03
    1-hexene 242.32
    2-isopropoxyethanol 179.51
    2,2,2-trifluoroethanol 43.31
    methyl butyrate 229.89

    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