3-Butylthiophene

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  • Identifiers

    CAS number
    34722-01-5

    Molecular formula
    C8H12S

    SMILES
    CCCCC1=CSC=C1

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fatty 56.84%
    Green 56.74%
    Roasted 55.18%
    Meaty 49.4%
    Fruity 48.12%
    Sulfurous 43.74%
    Savory 38.76%
    Vegetable 38.73%
    Burnt 37.75%
    Tropical 36.63%

     

    Flavor
    Fruity 76.81%
    Green 68.22%
    Fatty 57.01%
    Nutty 50.61%
    Floral 45.6%
    Earthy 44.84%
    Spicy 43.3%
    Sweet 42.49%
    Meaty 41.99%
    Vegetable 41.78%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.09 (neutral)

    Molecular weight
    140.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    185°C

    Flash point

    • 53.32 ˚C est.

  • Synonyms

    • 3-Butylthiophene
    • 34722-01-5
    • Thiophene, 3-butyl
    • KPOCSQCZXMATFR-UHFFFAOYSA-
    • DTXSID20340657
    • RefChem:93306
    • DTXCID40291738
    • 627-623-6
    • InChI=1/C8H12S/c1-2-3-4-8-5-6-9-7-8/h5-7H,2-4H2,1H3
    • KPOCSQCZXMATFR-UHFFFAOYSA-N
    • 3-n-Butylthiophene
    • Thiophene, 3-butyl-
    • MFCD00143179
    • C8H12S
    • 3-Butyl-thiophene
    • 3-Butylthiophene, 96%
    • Q4TW2MJB34
    • SCHEMBL78886
    • BIDD:GT0510
    • SCHEMBL129038
    • SCHEMBL2090609
    • SCHEMBL2253862
    • SCHEMBL4212631
    • SCHEMBL5007247
    • SCHEMBL5310103
    • SCHEMBL8193738
    • SCHEMBL17667489
    • AKOS004909493
    • AC-4930
    • CS-W016450
    • AS-19033
    • DB-050481
    • NS00122931
    • F10859
    • EN300-7403910
    • A822369
    • F201446
    • 34722-01-5

  • Applications

    3-Butylthiophene (CAS 34722-01-5) is primarily used as a chemical building block in organic synthesis, notably as a monomer or co-monomer for alkyl-substituted polythiophenes used in conductive polymers. It serves as a precursor for materials in organic electronics and photovoltaics, with solubility advantages provided by the butyl substituent. It is used in research and development for conductive inks and coatings for electronic applications, and as an intermediate in the synthesis of more complex thiophene-containing compounds for sensors and electrochromic devices. In polymer and materials science, it is valued for enabling processability and tunability of electronic properties in thiophene-based systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 471.52
    methanol 158.62
    isopropanol 443.75
    water 0.03
    ethyl acetate 781.0
    n-propanol 450.25
    acetone 1024.19
    n-butanol 549.84
    acetonitrile 452.34
    DMF 612.31
    toluene 1042.65
    isobutanol 383.76
    1,4-dioxane 1431.25
    methyl acetate 590.25
    THF 2144.48
    2-butanone 937.12
    n-pentanol 385.97
    sec-butanol 431.38
    n-hexane 312.57
    ethylene glycol 45.74
    NMP 503.94
    cyclohexane 739.09
    DMSO 958.88
    n-butyl acetate 1492.15
    n-octanol 358.88
    chloroform 1832.39
    n-propyl acetate 568.09
    acetic acid 249.53
    dichloromethane 1823.36
    cyclohexanone 1448.71
    propylene glycol 92.94
    isopropyl acetate 478.67
    DMAc 436.88
    2-ethoxyethanol 329.88
    isopentanol 473.03
    n-heptane 673.75
    ethyl formate 356.72
    1,2-dichloroethane 1280.56
    n-hexanol 1044.7
    2-methoxyethanol 424.67
    isobutyl acetate 415.86
    tetrachloromethane 420.75
    n-pentyl acetate 472.64
    transcutol 1426.57
    n-heptanol 325.69
    ethylbenzene 411.05
    MIBK 502.73
    2-propoxyethanol 836.44
    tert-butanol 559.61
    MTBE 693.76
    2-butoxyethanol 360.36
    propionic acid 254.03
    o-xylene 452.59
    formic acid 19.84
    diethyl ether 1021.78
    m-xylene 546.89
    p-xylene 471.16
    chlorobenzene 837.69
    dimethyl carbonate 177.21
    n-octane 170.55
    formamide 47.97
    cyclopentanone 1272.57
    2-pentanone 908.51
    anisole 530.47
    cyclopentyl methyl ether 1036.38
    gamma-butyrolactone 878.28
    1-methoxy-2-propanol 434.38
    pyridine 1342.75
    3-pentanone 627.79
    furfural 647.5
    n-dodecane 101.14
    diethylene glycol 301.29
    diisopropyl ether 339.31
    tert-amyl alcohol 421.73
    acetylacetone 736.26
    n-hexadecane 118.16
    acetophenone 429.92
    methyl propionate 493.09
    isopentyl acetate 974.35
    trichloroethylene 1840.45
    n-nonanol 307.56
    cyclohexanol 671.97
    benzyl alcohol 315.49
    2-ethylhexanol 737.4
    isooctanol 259.92
    dipropyl ether 1367.17
    1,2-dichlorobenzene 592.38
    ethyl lactate 164.63
    propylene carbonate 567.05
    n-methylformamide 188.67
    2-pentanol 418.56
    n-pentane 322.84
    1-propoxy-2-propanol 780.88
    1-methoxy-2-propyl acetate 743.73
    2-(2-methoxypropoxy) propanol 351.21
    mesitylene 347.76
    ε-caprolactone 905.78
    p-cymene 395.84
    epichlorohydrin 1123.84
    1,1,1-trichloroethane 1220.34
    2-aminoethanol 109.27
    morpholine-4-carbaldehyde 647.44
    sulfolane 883.13
    2,2,4-trimethylpentane 104.09
    2-methyltetrahydrofuran 1531.86
    n-hexyl acetate 597.9
    isooctane 112.71
    2-(2-butoxyethoxy)ethanol 491.13
    sec-butyl acetate 374.3
    tert-butyl acetate 525.84
    decalin 202.87
    glycerin 97.51
    diglyme 956.48
    acrylic acid 175.84
    isopropyl myristate 291.06
    n-butyric acid 511.82
    acetyl acetate 385.51
    di(2-ethylhexyl) phthalate 212.68
    ethyl propionate 420.5
    nitromethane 382.82
    1,2-diethoxyethane 1103.18
    benzonitrile 558.15
    trioctyl phosphate 167.32
    1-bromopropane 1165.9
    gamma-valerolactone 1035.78
    n-decanol 238.48
    triethyl phosphate 234.46
    4-methyl-2-pentanol 239.62
    propionitrile 497.78
    vinylene carbonate 459.61
    1,1,2-trichlorotrifluoroethane 445.08
    DMS 332.33
    cumene 241.8
    2-octanol 237.91
    2-hexanone 686.03
    octyl acetate 326.77
    limonene 684.71
    1,2-dimethoxyethane 867.46
    ethyl orthosilicate 253.83
    tributyl phosphate 207.08
    diacetone alcohol 428.28
    N,N-dimethylaniline 346.89
    acrylonitrile 438.88
    aniline 541.65
    1,3-propanediol 206.33
    bromobenzene 1105.35
    dibromomethane 1539.45
    1,1,2,2-tetrachloroethane 1344.0
    2-methyl-cyclohexyl acetate 499.27
    tetrabutyl urea 297.58
    diisobutyl methanol 389.75
    2-phenylethanol 474.94
    styrene 563.32
    dioctyl adipate 339.39
    dimethyl sulfate 212.5
    ethyl butyrate 836.45
    methyl lactate 147.53
    butyl lactate 253.98
    diethyl carbonate 407.54
    propanediol butyl ether 280.83
    triethyl orthoformate 492.13
    p-tert-butyltoluene 373.72
    methyl 4-tert-butylbenzoate 338.58
    morpholine 1422.76
    tert-butylamine 470.91
    n-dodecanol 201.37
    dimethoxymethane 606.83
    ethylene carbonate 458.78
    cyrene 279.26
    2-ethoxyethyl acetate 552.25
    2-ethylhexyl acetate 860.13
    1,2,4-trichlorobenzene 599.29
    4-methylpyridine 1200.09
    dibutyl ether 769.06
    2,6-dimethyl-4-heptanol 389.75
    DEF 627.81
    dimethyl isosorbide 637.9
    tetrachloroethylene 851.64
    eugenol 305.29
    triacetin 391.57
    span 80 378.59
    1,4-butanediol 96.67
    1,1-dichloroethane 1261.03
    2-methyl-1-pentanol 328.51
    methyl formate 170.09
    2-methyl-1-butanol 402.9
    n-decane 178.43
    butyronitrile 759.78
    3,7-dimethyl-1-octanol 367.69
    1-chlorooctane 422.44
    1-chlorotetradecane 181.73
    n-nonane 208.6
    undecane 128.82
    tert-butylcyclohexane 156.14
    cyclooctane 293.63
    cyclopentanol 543.6
    tetrahydropyran 2001.61
    tert-amyl methyl ether 481.07
    2,5,8-trioxanonane 637.63
    1-hexene 743.74
    2-isopropoxyethanol 294.32
    2,2,2-trifluoroethanol 55.31
    methyl butyrate 551.5

    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