2-Butyl-5-ethylthiophene

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  • Identifiers

    CAS number
    54411-06-2

    Molecular formula
    C10H16S

    SMILES
    CCCCC1=CC=C(S1)CC

  • Odor profile

    Fragrance
    Fruity 90.24%
    Sulfurous 63.06%
    Roasted 62.07%
    Burnt 51.0%
    Tropical 50.38%
    Meaty 46.71%
    Green 43.49%
    Floral 38.23%
    Savory 35.92%
    Coffee 35.33%

     

    Flavor
    Fruity 69.16%
    Green 60.84%
    Sweet 49.17%
    Spicy 45.49%
    Fatty 41.57%
    Earthy 39.99%
    Nutty 36.49%
    Roasted 34.68%
    Vegetable 34.04%
    Floral 33.98%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.38 (weak base)

    Molecular weight
    168.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    219°C

    Flash point

    • 61.03 ˚C est.

  • Synonyms

    • 2-Butyl-5-ethylthiophene
    • 54411-06-2
    • 2-n-Butyl-5-ethylthiophene
    • Thiophene, 2-butyl-5-ethyl-
    • DTXSID50334660
    • 2-Butyl-5-ethyl thiophene
    • 2-Butyl-5-ethylthiophene #
    • SCHEMBL3503770
    • DTXCID60285750
    • MFCD00053118
    • AKOS024285754
    • AS-58319
    • DB-020752
    • NS00124147
    • 611-139-7

  • Applications

    2-Butyl-5-ethylthiophene (CAS 54411-06-2) is primarily used as a specialty building block in organic synthesis, serving as an intermediate for the production of more complex compounds, including pharmaceutical and agrochemical precursors. It may also function as a precursor for conjugated polymers and materials used in organic electronics (such as polythiophene derivatives) and sensing applications. In coatings and polymer formulations, it can act as a monomer or additive to tailor properties of specialty polymers and coatings. Additionally, it may be used as a precursor for liquid-crystal materials employed in display technologies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 581.07
    methanol 235.77
    isopropanol 596.67
    water 0.02
    ethyl acetate 1826.73
    n-propanol 595.41
    acetone 2331.26
    n-butanol 739.29
    acetonitrile 841.34
    DMF 1682.59
    toluene 1923.54
    isobutanol 594.92
    1,4-dioxane 3423.15
    methyl acetate 1355.77
    THF 4217.57
    2-butanone 1974.13
    n-pentanol 576.85
    sec-butanol 667.63
    n-hexane 496.43
    ethylene glycol 51.74
    NMP 1290.05
    cyclohexane 1008.51
    DMSO 1412.0
    n-butyl acetate 3021.78
    n-octanol 550.81
    chloroform 3342.95
    n-propyl acetate 1211.01
    acetic acid 356.66
    dichloromethane 3098.17
    cyclohexanone 3271.68
    propylene glycol 133.14
    isopropyl acetate 1304.11
    DMAc 1245.31
    2-ethoxyethanol 597.93
    isopentanol 831.27
    n-heptane 577.43
    ethyl formate 643.44
    1,2-dichloroethane 2459.4
    n-hexanol 1426.83
    2-methoxyethanol 800.28
    isobutyl acetate 1037.44
    tetrachloromethane 719.92
    n-pentyl acetate 1060.69
    transcutol 2738.1
    n-heptanol 482.44
    ethylbenzene 767.36
    MIBK 1162.67
    2-propoxyethanol 1518.13
    tert-butanol 1015.25
    MTBE 2057.96
    2-butoxyethanol 629.63
    propionic acid 382.49
    o-xylene 817.29
    formic acid 29.69
    diethyl ether 2616.64
    m-xylene 956.74
    p-xylene 941.77
    chlorobenzene 1656.77
    dimethyl carbonate 408.34
    n-octane 213.8
    formamide 74.45
    cyclopentanone 2813.56
    2-pentanone 1956.97
    anisole 1194.15
    cyclopentyl methyl ether 2229.21
    gamma-butyrolactone 1944.62
    1-methoxy-2-propanol 789.81
    pyridine 2727.29
    3-pentanone 1461.19
    furfural 1391.79
    n-dodecane 136.73
    diethylene glycol 517.91
    diisopropyl ether 857.9
    tert-amyl alcohol 831.06
    acetylacetone 1827.67
    n-hexadecane 167.22
    acetophenone 927.97
    methyl propionate 1087.1
    isopentyl acetate 2290.18
    trichloroethylene 3737.99
    n-nonanol 496.84
    cyclohexanol 1098.93
    benzyl alcohol 618.78
    2-ethylhexanol 1068.78
    isooctanol 451.66
    dipropyl ether 2148.76
    1,2-dichlorobenzene 1266.49
    ethyl lactate 288.95
    propylene carbonate 1220.0
    n-methylformamide 357.57
    2-pentanol 661.65
    n-pentane 381.24
    1-propoxy-2-propanol 1348.35
    1-methoxy-2-propyl acetate 1743.01
    2-(2-methoxypropoxy) propanol 723.88
    mesitylene 613.02
    ε-caprolactone 2000.57
    p-cymene 570.79
    epichlorohydrin 2552.32
    1,1,1-trichloroethane 2674.22
    2-aminoethanol 128.91
    morpholine-4-carbaldehyde 1653.71
    sulfolane 1872.47
    2,2,4-trimethylpentane 184.27
    2-methyltetrahydrofuran 3442.75
    n-hexyl acetate 1372.65
    isooctane 184.22
    2-(2-butoxyethoxy)ethanol 972.31
    sec-butyl acetate 930.52
    tert-butyl acetate 1543.18
    decalin 367.98
    glycerin 161.03
    diglyme 1933.26
    acrylic acid 266.54
    isopropyl myristate 611.18
    n-butyric acid 906.59
    acetyl acetate 998.19
    di(2-ethylhexyl) phthalate 430.27
    ethyl propionate 899.95
    nitromethane 799.02
    1,2-diethoxyethane 2334.34
    benzonitrile 1079.65
    trioctyl phosphate 326.85
    1-bromopropane 2055.37
    gamma-valerolactone 2490.32
    n-decanol 383.48
    triethyl phosphate 493.59
    4-methyl-2-pentanol 441.87
    propionitrile 884.64
    vinylene carbonate 999.91
    1,1,2-trichlorotrifluoroethane 959.89
    DMS 837.61
    cumene 450.64
    2-octanol 410.46
    2-hexanone 1511.98
    octyl acetate 683.04
    limonene 1058.14
    1,2-dimethoxyethane 2000.45
    ethyl orthosilicate 530.75
    tributyl phosphate 442.67
    diacetone alcohol 969.14
    N,N-dimethylaniline 716.97
    acrylonitrile 765.72
    aniline 1030.78
    1,3-propanediol 312.18
    bromobenzene 2179.22
    dibromomethane 2404.33
    1,1,2,2-tetrachloroethane 2951.33
    2-methyl-cyclohexyl acetate 1035.87
    tetrabutyl urea 583.19
    diisobutyl methanol 595.42
    2-phenylethanol 912.43
    styrene 1124.04
    dioctyl adipate 687.15
    dimethyl sulfate 529.75
    ethyl butyrate 1615.06
    methyl lactate 292.29
    butyl lactate 531.03
    diethyl carbonate 844.05
    propanediol butyl ether 515.72
    triethyl orthoformate 1012.84
    p-tert-butyltoluene 571.96
    methyl 4-tert-butylbenzoate 697.24
    morpholine 3080.84
    tert-butylamine 774.44
    n-dodecanol 322.68
    dimethoxymethane 1389.72
    ethylene carbonate 980.14
    cyrene 601.03
    2-ethoxyethyl acetate 1251.93
    2-ethylhexyl acetate 2022.65
    1,2,4-trichlorobenzene 1378.14
    4-methylpyridine 2827.22
    dibutyl ether 1515.74
    2,6-dimethyl-4-heptanol 595.42
    DEF 1579.45
    dimethyl isosorbide 1389.65
    tetrachloroethylene 1704.3
    eugenol 627.46
    triacetin 872.21
    span 80 724.02
    1,4-butanediol 146.43
    1,1-dichloroethane 2492.12
    2-methyl-1-pentanol 619.0
    methyl formate 333.99
    2-methyl-1-butanol 718.07
    n-decane 246.74
    butyronitrile 1276.52
    3,7-dimethyl-1-octanol 632.14
    1-chlorooctane 717.38
    1-chlorotetradecane 298.58
    n-nonane 273.05
    undecane 176.4
    tert-butylcyclohexane 316.98
    cyclooctane 387.64
    cyclopentanol 848.85
    tetrahydropyran 4345.39
    tert-amyl methyl ether 1240.13
    2,5,8-trioxanonane 1253.15
    1-hexene 1354.41
    2-isopropoxyethanol 587.71
    2,2,2-trifluoroethanol 103.78
    methyl butyrate 1226.62

    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