2,5-Diethylthiophene

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  • Identifiers

    CAS number
    5069-23-8

    Molecular formula
    C8H12S

    SMILES
    CCC1=CC=C(S1)CC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 82.0%
    Green 56.87%
    Sulfurous 55.72%
    Roasted 55.67%
    Burnt 53.09%
    Meaty 38.78%
    Coffee 38.3%
    Nutty 36.68%
    Alliaceous 35.1%
    Earthy 34.6%

     

    Flavor
    Green 52.51%
    Sweet 46.79%
    Fruity 43.95%
    Nutty 40.62%
    Spicy 39.38%
    Earthy 38.58%
    Roasted 34.65%
    Vegetable 34.38%
    Meaty 28.98%
    Fruit 27.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.71 (weak base)

    Molecular weight
    140.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    178°C

    Flash point

    • 42.49 ˚C est.

  • Synonyms

    • 2,5-Diethylthiophene
    • 5069-23-8
    • Thiophene, 2,5-diethyl-
    • DTXSID90334604
    • RefChem:247408
    • DTXCID60285694
    • JQTZGXZYJIJECP-UHFFFAOYSA-N
    • SCHEMBL45854
    • SCHEMBL9729989
    • SCHEMBL9769109
    • AKOS015897491
    • DB-082384
    • 069D238
    • 5069-23-8

  • Applications

    2,5-Diethylthiophene (CAS 5069-23-8) is primarily used as an intermediate in the synthesis of thiophene-based compounds for polymers and electronic materials; it serves as a building block or monomer precursor for polythiophene-like polymers and oligomers used in organic electronics, such as OLEDs and organic photovoltaics; it also functions as a scaffolding component for specialty polymers employed in coatings, paints, and adhesives that incorporate sulfur-containing heterocycles to enhance performance; in research and development, it is used as a precursor to functionalized thiophenes for sensors and electrochromic materials; and it can be a constituent in conductive inks and printed electronics formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 99.3
    methanol 58.82
    isopropanol 112.16
    water 0.07
    ethyl acetate 380.1
    n-propanol 120.0
    acetone 526.3
    n-butanol 138.28
    acetonitrile 221.74
    DMF 689.46
    toluene 564.3
    isobutanol 111.24
    1,4-dioxane 854.53
    methyl acetate 376.67
    THF 1348.52
    2-butanone 513.07
    n-pentanol 119.11
    sec-butanol 131.62
    n-hexane 121.08
    ethylene glycol 16.69
    NMP 937.06
    cyclohexane 265.1
    DMSO 456.18
    n-butyl acetate 771.65
    n-octanol 199.77
    chloroform 1355.4
    n-propyl acetate 347.12
    acetic acid 109.5
    dichloromethane 1270.54
    cyclohexanone 1130.46
    propylene glycol 30.01
    isopropyl acetate 319.09
    DMAc 572.28
    2-ethoxyethanol 151.51
    isopentanol 139.67
    n-heptane 232.11
    ethyl formate 220.67
    1,2-dichloroethane 773.76
    n-hexanol 289.18
    2-methoxyethanol 185.21
    isobutyl acetate 307.94
    tetrachloromethane 415.74
    n-pentyl acetate 433.78
    transcutol 488.87
    n-heptanol 168.77
    ethylbenzene 304.36
    MIBK 334.7
    2-propoxyethanol 337.15
    tert-butanol 196.56
    MTBE 363.64
    2-butoxyethanol 214.5
    propionic acid 127.47
    o-xylene 349.21
    formic acid 11.21
    diethyl ether 370.06
    m-xylene 363.01
    p-xylene 417.11
    chlorobenzene 726.57
    dimethyl carbonate 171.01
    n-octane 101.93
    formamide 31.91
    cyclopentanone 1276.09
    2-pentanone 446.29
    anisole 481.17
    cyclopentyl methyl ether 668.72
    gamma-butyrolactone 1030.48
    1-methoxy-2-propanol 182.98
    pyridine 783.25
    3-pentanone 419.09
    furfural 727.84
    n-dodecane 79.87
    diethylene glycol 138.55
    diisopropyl ether 195.88
    tert-amyl alcohol 182.99
    acetylacetone 560.45
    n-hexadecane 95.14
    acetophenone 462.64
    methyl propionate 302.43
    isopentyl acetate 602.16
    trichloroethylene 1402.76
    n-nonanol 195.54
    cyclohexanol 272.99
    benzyl alcohol 240.51
    2-ethylhexanol 293.07
    isooctanol 154.63
    dipropyl ether 573.23
    1,2-dichlorobenzene 704.78
    ethyl lactate 126.26
    propylene carbonate 610.01
    n-methylformamide 162.33
    2-pentanol 123.01
    n-pentane 88.74
    1-propoxy-2-propanol 319.62
    1-methoxy-2-propyl acetate 495.38
    2-(2-methoxypropoxy) propanol 288.78
    mesitylene 282.75
    ε-caprolactone 737.94
    p-cymene 328.37
    epichlorohydrin 922.1
    1,1,1-trichloroethane 1058.3
    2-aminoethanol 35.85
    morpholine-4-carbaldehyde 771.41
    sulfolane 1133.6
    2,2,4-trimethylpentane 67.32
    2-methyltetrahydrofuran 970.01
    n-hexyl acetate 537.09
    isooctane 58.9
    2-(2-butoxyethoxy)ethanol 323.16
    sec-butyl acetate 274.69
    tert-butyl acetate 410.27
    decalin 153.2
    glycerin 44.11
    diglyme 668.33
    acrylic acid 105.75
    isopropyl myristate 323.33
    n-butyric acid 211.34
    acetyl acetate 304.55
    di(2-ethylhexyl) phthalate 228.8
    ethyl propionate 311.04
    nitromethane 276.39
    1,2-diethoxyethane 527.84
    benzonitrile 509.01
    trioctyl phosphate 181.64
    1-bromopropane 521.21
    gamma-valerolactone 1008.56
    n-decanol 162.74
    triethyl phosphate 261.28
    4-methyl-2-pentanol 99.16
    propionitrile 256.3
    vinylene carbonate 525.81
    1,1,2-trichlorotrifluoroethane 381.99
    DMS 400.09
    cumene 223.5
    2-octanol 159.71
    2-hexanone 425.09
    octyl acetate 342.23
    limonene 495.45
    1,2-dimethoxyethane 540.9
    ethyl orthosilicate 249.06
    tributyl phosphate 231.12
    diacetone alcohol 290.12
    N,N-dimethylaniline 363.12
    acrylonitrile 280.65
    aniline 306.47
    1,3-propanediol 72.17
    bromobenzene 943.35
    dibromomethane 912.62
    1,1,2,2-tetrachloroethane 1063.07
    2-methyl-cyclohexyl acetate 483.31
    tetrabutyl urea 330.07
    diisobutyl methanol 208.27
    2-phenylethanol 347.3
    styrene 395.48
    dioctyl adipate 366.05
    dimethyl sulfate 292.72
    ethyl butyrate 561.74
    methyl lactate 113.1
    butyl lactate 224.84
    diethyl carbonate 360.97
    propanediol butyl ether 161.59
    triethyl orthoformate 385.84
    p-tert-butyltoluene 328.77
    methyl 4-tert-butylbenzoate 423.28
    morpholine 700.03
    tert-butylamine 146.95
    n-dodecanol 144.09
    dimethoxymethane 424.55
    ethylene carbonate 458.3
    cyrene 326.25
    2-ethoxyethyl acetate 442.17
    2-ethylhexyl acetate 607.39
    1,2,4-trichlorobenzene 772.61
    4-methylpyridine 843.5
    dibutyl ether 469.75
    2,6-dimethyl-4-heptanol 208.27
    DEF 489.09
    dimethyl isosorbide 696.17
    tetrachloroethylene 664.22
    eugenol 328.79
    triacetin 411.02
    span 80 285.77
    1,4-butanediol 42.14
    1,1-dichloroethane 795.45
    2-methyl-1-pentanol 134.91
    methyl formate 165.02
    2-methyl-1-butanol 133.29
    n-decane 122.77
    butyronitrile 295.79
    3,7-dimethyl-1-octanol 225.35
    1-chlorooctane 304.47
    1-chlorotetradecane 165.07
    n-nonane 126.52
    undecane 96.39
    tert-butylcyclohexane 137.99
    cyclooctane 131.72
    cyclopentanol 299.09
    tetrahydropyran 882.35
    tert-amyl methyl ether 304.08
    2,5,8-trioxanonane 509.86
    1-hexene 271.47
    2-isopropoxyethanol 154.89
    2,2,2-trifluoroethanol 54.33
    methyl butyrate 402.14

    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