3-Ethylthiophene

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  • Identifiers

    CAS number
    1795-01-3

    Molecular formula
    C6H8S

    SMILES
    CCC1=CSC=C1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 57.77%
    Sulfurous 49.05%
    Onion 45.95%
    Meaty 44.42%
    Burnt 44.0%
    Alliaceous 42.4%
    Coffee 39.05%
    Fatty 38.22%
    Pungent 37.62%
    Green 36.96%

     

    Flavor
    Green 66.49%
    Nutty 61.09%
    Fruity 57.13%
    Earthy 48.12%
    Vegetable 45.61%
    Spicy 45.49%
    Meaty 42.9%
    Fatty 41.29%
    Woody 41.24%
    Floral 37.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.92 (neutral)

    Molecular weight
    112.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -89.1 °C

    Boiling point

    • 136.00 to 138.00 °C. @ 760.00 mm Hg

    Flash point

    • 21.06 ˚C est.

  • Synonyms

    • 3-Ethylthiophene
    • 1795-01-3
    • THIOPHENE, 3-ETHYL-
    • UNII-N2F423BE79
    • N2F423BE79
    • EINECS 217-267-6
    • SLDBAXYJAIRQMX-UHFFFAOYSA-
    • DTXSID20170815
    • RefChem:93873
    • DTXCID4093306
    • 217-267-6
    • InChI=1/C6H8S/c1-2-6-3-4-7-5-6/h3-5H,2H2,1H3
    • SLDBAXYJAIRQMX-UHFFFAOYSA-N
    • 3-ethyl-thiophene
    • MFCD00070514
    • 90451-70-0
    • Thiophene,ethyl-
    • 3-Ethylthiophene, 98%
    • SCHEMBL4196
    • SCHEMBL91155
    • SCHEMBL129032
    • SCHEMBL129568
    • SCHEMBL343665
    • SCHEMBL789141
    • SCHEMBL8815406
    • SCHEMBL9556234
    • SCHEMBL9752536
    • SCHEMBL17667499
    • GEO-01380
    • AKOS006228420
    • AC-4944
    • MSK170717-100M
    • BS-21862
    • SY036406
    • DB-028478
    • CS-0152496
    • E0378
    • NS00021766
    • EN300-107007
    • F14946
    • 3-Ethylthiophene Solution in Methanol, 100ug/mL
    • 795E013
    • A833345
    • F006141
    • Q27284422
    • 1795-01-3

  • Applications

    3-Ethylthiophene (CAS 1795-01-3) is an industrial building block used as a chemical intermediate in the synthesis of heteroaromatic compounds, including routes to pharmaceuticals and agrochemicals. It also serves as a monomer or co-monomer in the development of conjugated polymers and small-molecule semiconductors for organic electronics, such as conductive polymers and devices based on OLEDs and organic photovoltaics. Additionally, it is a precursor for dyes and pigments employed in coatings and inks, providing access to conjugated chromophores. In research and development, it is used as a versatile thiophene building block to enable the synthesis of more complex structures. Overall, applications span polymers/plastics, electronics, coatings/inks, pharmaceuticals, and agricultural chemical synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 311.61
    methanol 247.63
    isopropanol 168.25
    water 0.11
    ethyl acetate 563.14
    n-propanol 241.06
    acetone 535.96
    n-butanol 273.06
    acetonitrile 303.36
    DMF 272.6
    toluene 575.87
    isobutanol 158.51
    1,4-dioxane 1086.71
    methyl acetate 353.22
    THF 1344.4
    2-butanone 471.59
    n-pentanol 229.64
    sec-butanol 173.95
    n-hexane 155.49
    ethylene glycol 26.46
    NMP 417.97
    cyclohexane 273.94
    DMSO 386.73
    n-butyl acetate 909.43
    n-octanol 155.16
    chloroform 1088.63
    n-propyl acetate 396.92
    acetic acid 183.77
    dichloromethane 1052.05
    cyclohexanone 891.5
    propylene glycol 32.97
    isopropyl acetate 319.42
    DMAc 226.85
    2-ethoxyethanol 248.81
    isopentanol 232.35
    n-heptane 232.38
    ethyl formate 243.85
    1,2-dichloroethane 701.66
    n-hexanol 439.75
    2-methoxyethanol 320.98
    isobutyl acetate 263.05
    tetrachloromethane 288.42
    n-pentyl acetate 296.78
    transcutol 1148.57
    n-heptanol 161.83
    ethylbenzene 167.08
    MIBK 306.39
    2-propoxyethanol 521.94
    tert-butanol 216.15
    MTBE 386.92
    2-butoxyethanol 241.73
    propionic acid 152.54
    o-xylene 219.17
    formic acid 40.87
    diethyl ether 847.65
    m-xylene 275.1
    p-xylene 192.49
    chlorobenzene 537.03
    dimethyl carbonate 103.78
    n-octane 65.18
    formamide 70.57
    cyclopentanone 748.4
    2-pentanone 511.87
    anisole 336.76
    cyclopentyl methyl ether 684.4
    gamma-butyrolactone 573.69
    1-methoxy-2-propanol 237.96
    pyridine 855.58
    3-pentanone 392.24
    furfural 550.9
    n-dodecane 38.1
    diethylene glycol 218.68
    diisopropyl ether 242.62
    tert-amyl alcohol 186.43
    acetylacetone 466.24
    n-hexadecane 44.9
    acetophenone 263.7
    methyl propionate 299.93
    isopentyl acetate 589.99
    trichloroethylene 1058.93
    n-nonanol 150.09
    cyclohexanol 284.02
    benzyl alcohol 194.78
    2-ethylhexanol 318.45
    isooctanol 139.8
    dipropyl ether 691.87
    1,2-dichlorobenzene 397.69
    ethyl lactate 89.02
    propylene carbonate 325.38
    n-methylformamide 138.16
    2-pentanol 189.57
    n-pentane 151.69
    1-propoxy-2-propanol 427.64
    1-methoxy-2-propyl acetate 509.5
    2-(2-methoxypropoxy) propanol 256.08
    mesitylene 182.73
    ε-caprolactone 631.43
    p-cymene 172.56
    epichlorohydrin 769.69
    1,1,1-trichloroethane 680.54
    2-aminoethanol 62.04
    morpholine-4-carbaldehyde 561.25
    sulfolane 520.14
    2,2,4-trimethylpentane 60.37
    2-methyltetrahydrofuran 978.55
    n-hexyl acetate 334.48
    isooctane 64.31
    2-(2-butoxyethoxy)ethanol 372.78
    sec-butyl acetate 246.19
    tert-butyl acetate 365.85
    decalin 100.5
    glycerin 50.02
    diglyme 677.34
    acrylic acid 110.77
    isopropyl myristate 168.65
    n-butyric acid 317.65
    acetyl acetate 307.82
    di(2-ethylhexyl) phthalate 132.11
    ethyl propionate 269.59
    nitromethane 310.97
    1,2-diethoxyethane 865.52
    benzonitrile 341.14
    trioctyl phosphate 96.12
    1-bromopropane 600.56
    gamma-valerolactone 798.36
    n-decanol 118.75
    triethyl phosphate 144.48
    4-methyl-2-pentanol 127.6
    propionitrile 265.63
    vinylene carbonate 301.56
    1,1,2-trichlorotrifluoroethane 309.54
    DMS 219.69
    cumene 113.82
    2-octanol 108.48
    2-hexanone 434.47
    octyl acetate 190.55
    limonene 301.73
    1,2-dimethoxyethane 580.67
    ethyl orthosilicate 158.37
    tributyl phosphate 126.66
    diacetone alcohol 252.35
    N,N-dimethylaniline 193.24
    acrylonitrile 239.64
    aniline 338.81
    1,3-propanediol 128.44
    bromobenzene 656.93
    dibromomethane 825.61
    1,1,2,2-tetrachloroethane 671.11
    2-methyl-cyclohexyl acetate 293.79
    tetrabutyl urea 159.32
    diisobutyl methanol 189.43
    2-phenylethanol 310.29
    styrene 261.99
    dioctyl adipate 194.63
    dimethyl sulfate 128.05
    ethyl butyrate 471.39
    methyl lactate 79.66
    butyl lactate 146.07
    diethyl carbonate 240.0
    propanediol butyl ether 139.77
    triethyl orthoformate 304.8
    p-tert-butyltoluene 166.03
    methyl 4-tert-butylbenzoate 206.87
    morpholine 930.62
    tert-butylamine 181.04
    n-dodecanol 98.77
    dimethoxymethane 394.2
    ethylene carbonate 290.15
    cyrene 211.24
    2-ethoxyethyl acetate 403.29
    2-ethylhexyl acetate 527.83
    1,2,4-trichlorobenzene 429.45
    4-methylpyridine 746.29
    dibutyl ether 384.37
    2,6-dimethyl-4-heptanol 189.43
    DEF 419.29
    dimethyl isosorbide 508.43
    tetrachloroethylene 546.56
    eugenol 207.97
    triacetin 241.23
    span 80 241.81
    1,4-butanediol 56.05
    1,1-dichloroethane 641.65
    2-methyl-1-pentanol 203.04
    methyl formate 119.62
    2-methyl-1-butanol 195.62
    n-decane 66.09
    butyronitrile 386.37
    3,7-dimethyl-1-octanol 184.96
    1-chlorooctane 185.44
    1-chlorotetradecane 87.23
    n-nonane 69.36
    undecane 48.31
    tert-butylcyclohexane 88.17
    cyclooctane 123.17
    cyclopentanol 235.46
    tetrahydropyran 1213.74
    tert-amyl methyl ether 287.75
    2,5,8-trioxanonane 503.12
    1-hexene 348.5
    2-isopropoxyethanol 209.28
    2,2,2-trifluoroethanol 53.4
    methyl butyrate 330.27

    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