2-Butylthiophene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1455-20-5

    Molecular formula
    C8H12S

    SMILES
    CCCCC1=CC=CS1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 82.6%
    Roasted 61.43%
    Sulfurous 58.84%
    Floral 55.96%
    Fatty 49.38%
    Tropical 48.5%
    Meaty 47.76%
    Burnt 46.72%
    Green 44.03%
    Savory 40.72%

     

    Flavor
    Fruity 80.41%
    Sweet 60.64%
    Green 60.34%
    Fatty 47.4%
    Spicy 40.06%
    Nutty 38.57%
    Floral 36.67%
    Fruit 36.52%
    Earthy 36.02%
    Vegetable 35.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.16 (neutral)

    Molecular weight
    140.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    183°C

    Flash point

    • 49.25 ˚C est.

  • Synonyms

    • 2-Butylthiophene
    • 1455-20-5
    • 2-n-Butylthiophene
    • THIOPHENE, 2-BUTYL-
    • 2-butyl-thiophene
    • CCRIS 6900
    • EINECS 215-935-1
    • MFCD00022534
    • DTXSID80163081
    • SCHEMBL218485
    • 2-N-Butylthiophene, AldrichCPR
    • DTXCID1085572
    • GEO-00632
    • AKOS005258102
    • DS-7494
    • SY061607
    • DB-042790
    • CS-0182118
    • NS00021666
    • F15458
    • EN300-7399623
    • Q63409709
    • 215-935-1
    • Y8G

  • Applications

    2-Butylthiophene (CAS 1455-20-5) serves primarily as an organic synthesis intermediate and building block for thiophene-based materials. In industry, it is used to prepare substituted polythiophenes and other conjugated polymers for organic electronics, including flexible conductors, OLEDs, solar cells, and related printing inks. It also functions as a precursor in the development of specialty polymers and coatings where thiophene units impart electronic or UV-stable properties. In pharmaceutical and agrochemical research, it is employed as a heteroaryl building block for the synthesis of more complex compounds. Additionally, it is encountered in R&D workflows for conductive inks and surface coatings used in electronics and sensor applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 392.75
    methanol 125.52
    isopropanol 416.18
    water 0.04
    ethyl acetate 689.58
    n-propanol 403.81
    acetone 949.26
    n-butanol 488.23
    acetonitrile 429.95
    DMF 704.0
    toluene 839.48
    isobutanol 366.44
    1,4-dioxane 1245.97
    methyl acetate 615.86
    THF 1875.65
    2-butanone 952.03
    n-pentanol 336.31
    sec-butanol 436.63
    n-hexane 193.76
    ethylene glycol 47.23
    NMP 582.46
    cyclohexane 468.81
    DMSO 955.88
    n-butyl acetate 1320.89
    n-octanol 345.85
    chloroform 1656.97
    n-propyl acetate 532.96
    acetic acid 230.47
    dichloromethane 1638.84
    cyclohexanone 1411.02
    propylene glycol 105.6
    isopropyl acetate 441.38
    DMAc 529.75
    2-ethoxyethanol 313.74
    isopentanol 435.69
    n-heptane 441.24
    ethyl formate 339.21
    1,2-dichloroethane 1142.01
    n-hexanol 899.11
    2-methoxyethanol 398.34
    isobutyl acetate 392.0
    tetrachloromethane 356.33
    n-pentyl acetate 438.02
    transcutol 1317.51
    n-heptanol 309.11
    ethylbenzene 357.21
    MIBK 469.27
    2-propoxyethanol 786.31
    tert-butanol 531.45
    MTBE 640.48
    2-butoxyethanol 351.47
    propionic acid 270.65
    o-xylene 410.5
    formic acid 18.36
    diethyl ether 776.16
    m-xylene 455.47
    p-xylene 427.78
    chlorobenzene 760.35
    dimethyl carbonate 182.7
    n-octane 123.82
    formamide 46.82
    cyclopentanone 1339.78
    2-pentanone 828.77
    anisole 520.23
    cyclopentyl methyl ether 902.03
    gamma-butyrolactone 948.26
    1-methoxy-2-propanol 430.77
    pyridine 1217.58
    3-pentanone 600.73
    furfural 684.84
    n-dodecane 88.39
    diethylene glycol 307.87
    diisopropyl ether 277.15
    tert-amyl alcohol 439.05
    acetylacetone 731.84
    n-hexadecane 102.63
    acetophenone 448.02
    methyl propionate 486.98
    isopentyl acetate 893.31
    trichloroethylene 1728.04
    n-nonanol 299.0
    cyclohexanol 626.08
    benzyl alcohol 317.08
    2-ethylhexanol 648.63
    isooctanol 247.24
    dipropyl ether 1062.54
    1,2-dichlorobenzene 568.2
    ethyl lactate 173.51
    propylene carbonate 597.34
    n-methylformamide 196.0
    2-pentanol 378.48
    n-pentane 195.13
    1-propoxy-2-propanol 737.54
    1-methoxy-2-propyl acetate 723.34
    2-(2-methoxypropoxy) propanol 383.51
    mesitylene 299.38
    ε-caprolactone 913.03
    p-cymene 347.75
    epichlorohydrin 1100.69
    1,1,1-trichloroethane 1127.03
    2-aminoethanol 110.22
    morpholine-4-carbaldehyde 695.82
    sulfolane 995.19
    2,2,4-trimethylpentane 87.18
    2-methyltetrahydrofuran 1359.51
    n-hexyl acetate 586.21
    isooctane 89.03
    2-(2-butoxyethoxy)ethanol 494.05
    sec-butyl acetate 360.0
    tert-butyl acetate 514.09
    decalin 165.67
    glycerin 110.29
    diglyme 942.18
    acrylic acid 186.83
    isopropyl myristate 296.11
    n-butyric acid 485.39
    acetyl acetate 375.72
    di(2-ethylhexyl) phthalate 222.7
    ethyl propionate 396.02
    nitromethane 397.5
    1,2-diethoxyethane 915.48
    benzonitrile 542.72
    trioctyl phosphate 174.85
    1-bromopropane 942.33
    gamma-valerolactone 1069.9
    n-decanol 233.31
    triethyl phosphate 242.21
    4-methyl-2-pentanol 220.7
    propionitrile 482.45
    vinylene carbonate 488.97
    1,1,2-trichlorotrifluoroethane 453.09
    DMS 349.05
    cumene 221.0
    2-octanol 234.03
    2-hexanone 636.75
    octyl acetate 335.44
    limonene 610.85
    1,2-dimethoxyethane 804.27
    ethyl orthosilicate 246.08
    tributyl phosphate 218.34
    diacetone alcohol 436.26
    N,N-dimethylaniline 344.93
    acrylonitrile 451.66
    aniline 494.71
    1,3-propanediol 195.55
    bromobenzene 996.79
    dibromomethane 1311.32
    1,1,2,2-tetrachloroethane 1276.61
    2-methyl-cyclohexyl acetate 496.6
    tetrabutyl urea 309.64
    diisobutyl methanol 354.41
    2-phenylethanol 452.96
    styrene 484.8
    dioctyl adipate 342.59
    dimethyl sulfate 242.47
    ethyl butyrate 748.08
    methyl lactate 162.32
    butyl lactate 269.53
    diethyl carbonate 387.64
    propanediol butyl ether 307.38
    triethyl orthoformate 468.66
    p-tert-butyltoluene 345.79
    methyl 4-tert-butylbenzoate 353.67
    morpholine 1230.58
    tert-butylamine 412.67
    n-dodecanol 199.83
    dimethoxymethane 557.63
    ethylene carbonate 477.86
    cyrene 313.73
    2-ethoxyethyl acetate 512.36
    2-ethylhexyl acetate 791.54
    1,2,4-trichlorobenzene 603.57
    4-methylpyridine 1133.39
    dibutyl ether 630.88
    2,6-dimethyl-4-heptanol 354.41
    DEF 631.78
    dimethyl isosorbide 670.27
    tetrachloroethylene 748.04
    eugenol 325.65
    triacetin 417.35
    span 80 399.07
    1,4-butanediol 100.49
    1,1-dichloroethane 1146.44
    2-methyl-1-pentanol 301.89
    methyl formate 175.22
    2-methyl-1-butanol 386.97
    n-decane 143.4
    butyronitrile 668.03
    3,7-dimethyl-1-octanol 358.66
    1-chlorooctane 374.4
    1-chlorotetradecane 167.08
    n-nonane 159.92
    undecane 108.55
    tert-butylcyclohexane 133.62
    cyclooctane 191.9
    cyclopentanol 524.37
    tetrahydropyran 1611.57
    tert-amyl methyl ether 451.16
    2,5,8-trioxanonane 652.15
    1-hexene 555.55
    2-isopropoxyethanol 307.9
    2,2,2-trifluoroethanol 60.45
    methyl butyrate 534.46

    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