2-Ethyl-5-hexylthiophene

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  • Identifiers

    CAS number
    42908-64-5

    Molecular formula
    C12H20S

    SMILES
    CCCCCCC1=CC=C(S1)CC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 84.6%
    Sulfurous 63.9%
    Roasted 60.21%
    Tropical 54.65%
    Meaty 53.94%
    Fatty 51.78%
    Green 51.61%
    Burnt 45.01%
    Floral 42.96%
    Savory 42.13%

     

    Flavor
    Green 69.57%
    Fruity 68.1%
    Fatty 53.01%
    Floral 45.44%
    Earthy 41.44%
    Herbal 36.87%
    Spicy 36.63%
    Sweet 36.04%
    Nutty 35.46%
    Mushroom 35.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    8.36 (weak base)

    Molecular weight
    196.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    254°C

    Flash point

    • 79.35 ˚C est.

  • Synonyms

    • 2-Ethyl-5-hexylthiophene
    • Thiophene, 2-ethyl-5-hexyl-
    • SCHEMBL16405008
    • PYNYXKXRWYDSDB-UHFFFAOYSA-N
    • 42908-64-5
    • 42908-64-5

  • Applications

    2-Ethyl-5-hexylthiophene (CAS 42908-64-5) serves as a versatile intermediate and monomer for thiophene-based conjugated polymers, underpinning organic electronic materials such as semiconducting polymers for organic photovoltaics (OPV), OLEDs and OFETs. It is also used as a building block in conductive inks and coatings for printed electronics and flexible circuits. As a foundational unit in thiophene polymer chemistry, it is employed in the development of dyes, pigment-like polymers and other specialty materials. In R&D settings, it is commonly evaluated as a versatile precursor for novel organic semiconductor and sensor materials. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1422.61
    methanol 620.42
    isopropanol 1388.47
    water 0.01
    ethyl acetate 5481.33
    n-propanol 1484.39
    acetone 6692.94
    n-butanol 1746.42
    acetonitrile 2008.84
    DMF 3248.89
    toluene 3572.6
    isobutanol 1294.12
    1,4-dioxane 8460.17
    methyl acetate 3249.26
    THF 9411.56
    2-butanone 5098.54
    n-pentanol 1271.45
    sec-butanol 1429.73
    n-hexane 1139.41
    ethylene glycol 76.73
    NMP 2056.52
    cyclohexane 2288.67
    DMSO 2687.45
    n-butyl acetate 7203.31
    n-octanol 747.41
    chloroform 5864.81
    n-propyl acetate 3454.8
    acetic acid 742.98
    dichloromethane 5897.28
    cyclohexanone 7349.13
    propylene glycol 204.5
    isopropyl acetate 3984.08
    DMAc 2650.4
    2-ethoxyethanol 1577.38
    isopentanol 1884.95
    n-heptane 917.71
    ethyl formate 1336.02
    1,2-dichloroethane 5750.43
    n-hexanol 2480.87
    2-methoxyethanol 2037.64
    isobutyl acetate 2475.66
    tetrachloromethane 1301.15
    n-pentyl acetate 2263.49
    transcutol 6802.23
    n-heptanol 732.76
    ethylbenzene 1320.35
    MIBK 3050.85
    2-propoxyethanol 3396.57
    tert-butanol 2155.04
    MTBE 6609.96
    2-butoxyethanol 1251.11
    propionic acid 769.53
    o-xylene 1392.45
    formic acid 62.52
    diethyl ether 9091.55
    m-xylene 1712.55
    p-xylene 1537.43
    chlorobenzene 2971.99
    dimethyl carbonate 878.8
    n-octane 303.74
    formamide 163.54
    cyclopentanone 5391.13
    2-pentanone 5387.53
    anisole 2296.57
    cyclopentyl methyl ether 5242.24
    gamma-butyrolactone 3473.65
    1-methoxy-2-propanol 1800.27
    pyridine 5687.01
    3-pentanone 4038.78
    furfural 2414.12
    n-dodecane 162.2
    diethylene glycol 1045.25
    diisopropyl ether 2734.66
    tert-amyl alcohol 1803.46
    acetylacetone 4776.21
    n-hexadecane 203.49
    acetophenone 1622.74
    methyl propionate 2770.53
    isopentyl acetate 5486.49
    trichloroethylene 7643.21
    n-nonanol 707.01
    cyclohexanol 2141.63
    benzyl alcohol 1068.45
    2-ethylhexanol 1882.22
    isooctanol 728.31
    dipropyl ether 5712.52
    1,2-dichlorobenzene 2144.26
    ethyl lactate 529.72
    propylene carbonate 2113.35
    n-methylformamide 718.44
    2-pentanol 1462.41
    n-pentane 843.6
    1-propoxy-2-propanol 2873.4
    1-methoxy-2-propyl acetate 4120.09
    2-(2-methoxypropoxy) propanol 1198.53
    mesitylene 1071.8
    ε-caprolactone 4330.9
    p-cymene 886.17
    epichlorohydrin 5930.73
    1,1,1-trichloroethane 5611.73
    2-aminoethanol 256.22
    morpholine-4-carbaldehyde 3367.19
    sulfolane 3094.62
    2,2,4-trimethylpentane 342.25
    2-methyltetrahydrofuran 7788.19
    n-hexyl acetate 2542.36
    isooctane 347.57
    2-(2-butoxyethoxy)ethanol 1685.13
    sec-butyl acetate 2507.93
    tert-butyl acetate 4476.95
    decalin 634.05
    glycerin 256.71
    diglyme 3930.19
    acrylic acid 470.18
    isopropyl myristate 1020.65
    n-butyric acid 2066.0
    acetyl acetate 2607.22
    di(2-ethylhexyl) phthalate 618.68
    ethyl propionate 2430.08
    nitromethane 1896.62
    1,2-diethoxyethane 7188.98
    benzonitrile 1714.09
    trioctyl phosphate 467.45
    1-bromopropane 5045.6
    gamma-valerolactone 5434.22
    n-decanol 527.97
    triethyl phosphate 944.12
    4-methyl-2-pentanol 971.15
    propionitrile 1982.75
    vinylene carbonate 1630.78
    1,1,2-trichlorotrifluoroethane 2030.08
    DMS 1623.31
    cumene 706.22
    2-octanol 570.44
    2-hexanone 3789.12
    octyl acetate 1089.3
    limonene 1854.15
    1,2-dimethoxyethane 5409.55
    ethyl orthosilicate 1051.31
    tributyl phosphate 714.11
    diacetone alcohol 2210.82
    N,N-dimethylaniline 1220.01
    acrylonitrile 1486.54
    aniline 1995.49
    1,3-propanediol 677.85
    bromobenzene 3873.06
    dibromomethane 4573.0
    1,1,2,2-tetrachloroethane 5922.02
    2-methyl-cyclohexyl acetate 1986.85
    tetrabutyl urea 928.29
    diisobutyl methanol 1062.12
    2-phenylethanol 1583.33
    styrene 1950.29
    dioctyl adipate 1159.25
    dimethyl sulfate 1030.79
    ethyl butyrate 3661.1
    methyl lactate 524.89
    butyl lactate 936.22
    diethyl carbonate 1746.34
    propanediol butyl ether 760.18
    triethyl orthoformate 2275.54
    p-tert-butyltoluene 884.12
    methyl 4-tert-butylbenzoate 1070.87
    morpholine 7873.53
    tert-butylamine 1713.9
    n-dodecanol 426.39
    dimethoxymethane 3658.3
    ethylene carbonate 1788.44
    cyrene 903.61
    2-ethoxyethyl acetate 2914.97
    2-ethylhexyl acetate 4665.56
    1,2,4-trichlorobenzene 2327.54
    4-methylpyridine 5820.67
    dibutyl ether 3330.48
    2,6-dimethyl-4-heptanol 1062.12
    DEF 4202.53
    dimethyl isosorbide 2305.82
    tetrachloroethylene 3552.67
    eugenol 916.05
    triacetin 1557.63
    span 80 1074.1
    1,4-butanediol 259.14
    1,1-dichloroethane 5652.13
    2-methyl-1-pentanol 1359.33
    methyl formate 627.82
    2-methyl-1-butanol 1587.43
    n-decane 322.99
    butyronitrile 2963.99
    3,7-dimethyl-1-octanol 1020.35
    1-chlorooctane 1081.87
    1-chlorotetradecane 419.57
    n-nonane 353.93
    undecane 216.86
    tert-butylcyclohexane 545.67
    cyclooctane 724.22
    cyclopentanol 1464.6
    tetrahydropyran 11172.61
    tert-amyl methyl ether 3499.83
    2,5,8-trioxanonane 2195.04
    1-hexene 3217.21
    2-isopropoxyethanol 1352.49
    2,2,2-trifluoroethanol 194.17
    methyl butyrate 3284.57

    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