2-Butanoylthiophene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5333-83-5

    Molecular formula
    C8H10OS

    SMILES
    CCCC(=O)C1=CC=CS1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 68.67%
    Nutty 59.39%
    Caramellic 52.05%
    Meaty 52.0%
    Coffee 42.49%
    Burnt 39.9%
    Cooked 33.56%
    Savory 32.26%
    Popcorn 31.33%
    Hazelnut 30.72%

     

    Flavor
    Sweet 42.15%
    Nutty 42.1%
    Caramel 38.54%
    Coffee 32.49%
    Fatty 30.73%
    Fruity 29.67%
    Roast 29.26%
    Oily 28.71%
    Roasted 27.73%
    Burnt 25.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.83 (neutral)

    Molecular weight
    154.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 242.00 to 244.00 °C. @ 760.00 mm Hg

    Flash point

    • 88.48 ˚C est.

  • Synonyms

    • 5333-83-5
    • 1-(thiophen-2-yl)butan-1-one
    • 2-n-Butyrylthiophene
    • 2-Butanoylthiophene
    • 2-Butyrylthiophene
    • 1-(2-Thienyl)-1-butanone
    • 1-thien-2-ylbutan-1-one
    • 1-(2-Thienyl)butan-1-one
    • Ketone, propyl 2-thienyl
    • 1-Butanone, 1-(2-thienyl)-
    • 1-thiophen-2-ylbutan-1-one
    • n-Propyl 2-thienyl ketone
    • UNII-BIQ5M88OLZ
    • 1-(thien-2-yl)butanone
    • BIQ5M88OLZ
    • 1-Thiophen-2-yl-butan-1-one
    • NSC-2350
    • EINECS 226-246-0
    • AI3-13195
    • DTXSID10201480
    • NSC 2350
    • 1-(THIOPHEN-2-YL)-BUTANE-1-ONE
    • 2-Butyrothienone
    • NSC2350
    • MFCD00022503
    • Propyl 2-thienyl ketone
    • SCHEMBL3177576
    • DTXCID10123971
    • CHEBI:173416
    • 1-(thiophen-2-yl)-butan-1-one
    • ALBB-002873
    • BBL037633
    • GEO-02300
    • STK502524
    • AKOS003956338
    • FS-1782
    • FT03072
    • DB-052306
    • CS-0188350
    • NS00022313
    • E78158
    • T60009
    • Q27274691

  • Applications

    2-Butanoylthiophene (CAS 5333-83-5) is primarily employed as a synthetic intermediate with practical uses across several industries: it serves as an odorant/fragrance ingredient or precursor in perfume and personal care formulations; it acts as a building block for thiophene-containing compounds and materials used in polymers and electronic/conductive applications; it is used in coatings and inks as a precursor for dyes and functional additives; and it is an intermediate in pharmaceutical synthesis, with actual use subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 398.27
    methanol 421.24
    isopropanol 335.18
    water 3.39
    ethyl acetate 369.48
    n-propanol 343.18
    acetone 797.08
    n-butanol 372.07
    acetonitrile 579.82
    DMF 1621.89
    toluene 393.08
    isobutanol 308.75
    1,4-dioxane 579.91
    methyl acetate 487.61
    THF 753.46
    2-butanone 634.94
    n-pentanol 332.56
    sec-butanol 342.3
    n-hexane 61.35
    ethylene glycol 139.82
    NMP 1209.64
    cyclohexane 122.2
    DMSO 1110.86
    n-butyl acetate 508.68
    n-octanol 348.23
    chloroform 2184.05
    n-propyl acetate 407.07
    acetic acid 526.52
    dichloromethane 1945.96
    cyclohexanone 1076.48
    propylene glycol 165.39
    isopropyl acetate 255.45
    DMAc 944.21
    2-ethoxyethanol 373.79
    isopentanol 317.83
    n-heptane 75.64
    ethyl formate 435.17
    1,2-dichloroethane 998.27
    n-hexanol 387.28
    2-methoxyethanol 529.09
    isobutyl acetate 256.61
    tetrachloromethane 328.59
    n-pentyl acetate 372.56
    transcutol 1082.12
    n-heptanol 240.87
    ethylbenzene 282.06
    MIBK 312.2
    2-propoxyethanol 488.22
    tert-butanol 366.92
    MTBE 271.52
    2-butoxyethanol 344.47
    propionic acid 425.59
    o-xylene 283.44
    formic acid 130.16
    diethyl ether 258.16
    m-xylene 292.42
    p-xylene 380.48
    chlorobenzene 777.46
    dimethyl carbonate 245.59
    n-octane 49.13
    formamide 257.58
    cyclopentanone 1061.77
    2-pentanone 473.78
    anisole 494.04
    cyclopentyl methyl ether 376.27
    gamma-butyrolactone 995.63
    1-methoxy-2-propanol 423.35
    pyridine 989.6
    3-pentanone 377.54
    furfural 1183.46
    n-dodecane 52.3
    diethylene glycol 391.83
    diisopropyl ether 112.18
    tert-amyl alcohol 333.07
    acetylacetone 520.73
    n-hexadecane 60.19
    acetophenone 565.31
    methyl propionate 373.68
    isopentyl acetate 409.72
    trichloroethylene 2106.67
    n-nonanol 289.01
    cyclohexanol 411.1
    benzyl alcohol 457.25
    2-ethylhexanol 268.92
    isooctanol 202.46
    dipropyl ether 261.2
    1,2-dichlorobenzene 741.12
    ethyl lactate 240.51
    propylene carbonate 683.52
    n-methylformamide 586.36
    2-pentanol 254.81
    n-pentane 60.03
    1-propoxy-2-propanol 376.79
    1-methoxy-2-propyl acetate 378.63
    2-(2-methoxypropoxy) propanol 380.7
    mesitylene 208.06
    ε-caprolactone 765.92
    p-cymene 209.57
    epichlorohydrin 949.01
    1,1,1-trichloroethane 977.99
    2-aminoethanol 222.36
    morpholine-4-carbaldehyde 1007.1
    sulfolane 1266.81
    2,2,4-trimethylpentane 41.71
    2-methyltetrahydrofuran 559.06
    n-hexyl acetate 560.72
    isooctane 36.85
    2-(2-butoxyethoxy)ethanol 505.86
    sec-butyl acetate 249.88
    tert-butyl acetate 294.29
    decalin 83.31
    glycerin 233.13
    diglyme 849.22
    acrylic acid 461.69
    isopropyl myristate 237.28
    n-butyric acid 503.04
    acetyl acetate 292.29
    di(2-ethylhexyl) phthalate 224.61
    ethyl propionate 321.91
    nitromethane 938.81
    1,2-diethoxyethane 422.94
    benzonitrile 821.51
    trioctyl phosphate 172.04
    1-bromopropane 523.39
    gamma-valerolactone 1153.95
    n-decanol 222.94
    triethyl phosphate 192.92
    4-methyl-2-pentanol 162.49
    propionitrile 472.97
    vinylene carbonate 765.12
    1,1,2-trichlorotrifluoroethane 727.32
    DMS 378.6
    cumene 196.53
    2-octanol 229.4
    2-hexanone 468.9
    octyl acetate 299.54
    limonene 294.68
    1,2-dimethoxyethane 684.72
    ethyl orthosilicate 180.52
    tributyl phosphate 204.9
    diacetone alcohol 360.46
    N,N-dimethylaniline 380.17
    acrylonitrile 726.82
    aniline 426.86
    1,3-propanediol 300.21
    bromobenzene 866.59
    dibromomethane 1261.88
    1,1,2,2-tetrachloroethane 1459.02
    2-methyl-cyclohexyl acetate 323.98
    tetrabutyl urea 323.01
    diisobutyl methanol 173.16
    2-phenylethanol 404.02
    styrene 412.25
    dioctyl adipate 318.03
    dimethyl sulfate 412.57
    ethyl butyrate 379.18
    methyl lactate 256.3
    butyl lactate 297.97
    diethyl carbonate 293.12
    propanediol butyl ether 437.11
    triethyl orthoformate 253.25
    p-tert-butyltoluene 194.18
    methyl 4-tert-butylbenzoate 424.97
    morpholine 629.14
    tert-butylamine 269.28
    n-dodecanol 179.6
    dimethoxymethane 494.7
    ethylene carbonate 552.48
    cyrene 411.04
    2-ethoxyethyl acetate 400.74
    2-ethylhexyl acetate 342.23
    1,2,4-trichlorobenzene 800.26
    4-methylpyridine 1014.67
    dibutyl ether 348.49
    2,6-dimethyl-4-heptanol 173.16
    DEF 603.68
    dimethyl isosorbide 563.93
    tetrachloroethylene 932.18
    eugenol 456.2
    triacetin 472.7
    span 80 375.47
    1,4-butanediol 192.5
    1,1-dichloroethane 1023.59
    2-methyl-1-pentanol 299.27
    methyl formate 501.0
    2-methyl-1-butanol 302.74
    n-decane 79.7
    butyronitrile 563.2
    3,7-dimethyl-1-octanol 282.21
    1-chlorooctane 294.36
    1-chlorotetradecane 132.92
    n-nonane 81.12
    undecane 63.07
    tert-butylcyclohexane 72.68
    cyclooctane 44.18
    cyclopentanol 419.08
    tetrahydropyran 532.08
    tert-amyl methyl ether 232.23
    2,5,8-trioxanonane 619.32
    1-hexene 225.32
    2-isopropoxyethanol 293.95
    2,2,2-trifluoroethanol 213.24
    methyl butyrate 483.91

    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