2-Propionylthiophene

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  • Identifiers

    CAS number
    13679-75-9

    Molecular formula
    C7H8OS

    SMILES
    CCC(=O)C1=CC=CS1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 60.21%
    Roasted 59.21%
    Caramellic 53.33%
    Coffee 45.1%
    Meaty 43.59%
    Burnt 40.9%
    Sulfurous 36.11%
    Cooked 31.49%
    Savory 31.04%
    Popcorn 30.58%

     

    Flavor
    Nutty 45.2%
    Coffee 34.71%
    Sulfur 34.71%
    Roast 33.78%
    Roasted 32.23%
    Caramel 32.02%
    Oily 31.07%
    Sulfury 28.08%
    Popcorn 27.58%
    Musty 27.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    6.71 (neutral)

    Molecular weight
    140.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 57.00 °C. @ 760.00 mm Hg

    Boiling point

    • 107.00 °C. @ 11.00 mm Hg

    Flash point

    • 67.69 ˚C est.

  • Synonyms

    • 2-Propionylthiophene
    • 1-(2-Thienyl)-1-propanone
    • 13679-75-9
    • 1-(thiophen-2-yl)propan-1-one
    • 2-Propanoylthiophene
    • 1-(2-Thienyl)propan-1-one
    • 1-Propanone, 1-(2-thienyl)-
    • Ethyl 2-Thienyl Ketone
    • 1-thiophen-2-ylpropan-1-one
    • MFCD00005446
    • NY658TVP5M
    • Ethyl-2-thienylketone
    • Thiophene, 2-propionyl
    • EINECS 237-182-8
    • NSC 76041
    • NSC-76041
    • 2-(1-propionyl)thiophene
    • 1-thien-2-ylpropan-1-one
    • 1-thiophene-2-yl-propan-1-one
    • DTXSID70159933
    • ethyl thienyl ketone
    • 1-(2-thienyl)propanone
    • UNII-NY658TVP5M
    • Propiothienone
    • ETHYL-2-THIENYL KETONE
    • 2-propionylthiophen
    • NSC76041
    • 2-propionyithiophene
    • 1-2-thienyl-1-propanone
    • 1 -(Thienyl)-1 -propanone
    • BIDD:GT0341
    • SCHEMBL1232758
    • CHEMBL4453282
    • DTXCID2082424
    • MFPZQZZWAMAHOY-UHFFFAOYSA-
    • CHEBI:173590
    • 1-(thiophen-2-yl)-propan-1-one
    • ALBB-002872
    • 1-(2-Thienyl)-1-propanone, 9CI
    • BBL037420
    • GEO-02301
    • STK398288
    • 1-(2-Thienyl)-1-propanone, 98%
    • AKOS000120703
    • AC-15717
    • AS-59010
    • SY031388
    • DB-042356
    • CS-0152650
    • NS00021628
    • P1097
    • EN300-21029
    • I10171
    • Q27285103
    • F0001-0465
    • InChI=1/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3
    • 213611-32-6
    • 237-182-8

  • Applications

    2-Propionylthiophene (CAS 13679-75-9) is used primarily as an intermediate in organic synthesis and as an odorant/fragrance ingredient in perfumery and cosmetics; it may also serve as a flavor precursor in food applications. In industrial manufacturing, it provides the thiophene-containing building blocks for specialty chemicals and is explored as a precursor for polymeric materials in the plastics and coatings sectors, including potential use in thiophene-based polymers for electronics. It may also be evaluated for use in coatings and inks where fragrance or functional additives are desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 646.18
    methanol 1064.52
    isopropanol 460.79
    water 13.39
    ethyl acetate 846.32
    n-propanol 499.64
    acetone 1650.16
    n-butanol 487.85
    acetonitrile 1191.94
    DMF 2649.12
    toluene 633.44
    isobutanol 394.66
    1,4-dioxane 1622.2
    methyl acetate 933.0
    THF 1544.0
    2-butanone 1066.45
    n-pentanol 436.71
    sec-butanol 413.58
    n-hexane 125.07
    ethylene glycol 320.0
    NMP 2329.33
    cyclohexane 146.01
    DMSO 2017.54
    n-butyl acetate 617.19
    n-octanol 403.1
    chloroform 2876.81
    n-propyl acetate 736.6
    acetic acid 860.4
    dichloromethane 2887.84
    cyclohexanone 1726.98
    propylene glycol 243.45
    isopropyl acetate 557.93
    DMAc 1553.83
    2-ethoxyethanol 912.51
    isopentanol 422.47
    n-heptane 87.35
    ethyl formate 696.17
    1,2-dichloroethane 1779.07
    n-hexanol 423.63
    2-methoxyethanol 1274.77
    isobutyl acetate 479.26
    tetrachloromethane 606.67
    n-pentyl acetate 569.18
    transcutol 2252.29
    n-heptanol 304.22
    ethylbenzene 399.05
    MIBK 603.25
    2-propoxyethanol 955.09
    tert-butanol 492.76
    MTBE 544.97
    2-butoxyethanol 645.71
    propionic acid 631.97
    o-xylene 424.82
    formic acid 375.87
    diethyl ether 690.59
    m-xylene 469.02
    p-xylene 532.97
    chlorobenzene 1171.3
    dimethyl carbonate 552.67
    n-octane 61.48
    formamide 631.51
    cyclopentanone 2003.63
    2-pentanone 912.97
    anisole 876.28
    cyclopentyl methyl ether 858.83
    gamma-butyrolactone 1970.5
    1-methoxy-2-propanol 889.74
    pyridine 1518.21
    3-pentanone 770.01
    furfural 1984.79
    n-dodecane 58.98
    diethylene glycol 848.14
    diisopropyl ether 268.48
    tert-amyl alcohol 447.48
    acetylacetone 1279.03
    n-hexadecane 68.76
    acetophenone 901.69
    methyl propionate 765.13
    isopentyl acetate 530.54
    trichloroethylene 3413.89
    n-nonanol 323.55
    cyclohexanol 527.99
    benzyl alcohol 665.34
    2-ethylhexanol 297.24
    isooctanol 269.83
    dipropyl ether 386.8
    1,2-dichlorobenzene 1138.79
    ethyl lactate 376.15
    propylene carbonate 955.79
    n-methylformamide 1176.28
    2-pentanol 346.06
    n-pentane 105.0
    1-propoxy-2-propanol 560.54
    1-methoxy-2-propyl acetate 621.19
    2-(2-methoxypropoxy) propanol 541.21
    mesitylene 349.93
    ε-caprolactone 1298.71
    p-cymene 238.32
    epichlorohydrin 1993.97
    1,1,1-trichloroethane 1506.2
    2-aminoethanol 410.41
    morpholine-4-carbaldehyde 2284.5
    sulfolane 2348.8
    2,2,4-trimethylpentane 72.83
    2-methyltetrahydrofuran 1092.77
    n-hexyl acetate 818.14
    isooctane 67.71
    2-(2-butoxyethoxy)ethanol 754.83
    sec-butyl acetate 471.5
    tert-butyl acetate 627.09
    decalin 127.6
    glycerin 459.21
    diglyme 1500.03
    acrylic acid 716.26
    isopropyl myristate 305.84
    n-butyric acid 741.47
    acetyl acetate 650.16
    di(2-ethylhexyl) phthalate 276.9
    ethyl propionate 612.07
    nitromethane 2081.62
    1,2-diethoxyethane 756.53
    benzonitrile 1171.54
    trioctyl phosphate 213.28
    1-bromopropane 753.01
    gamma-valerolactone 2383.46
    n-decanol 238.46
    triethyl phosphate 274.42
    4-methyl-2-pentanol 237.48
    propionitrile 833.61
    vinylene carbonate 1101.28
    1,1,2-trichlorotrifluoroethane 1287.04
    DMS 723.14
    cumene 296.43
    2-octanol 276.79
    2-hexanone 776.17
    octyl acetate 374.97
    limonene 301.56
    1,2-dimethoxyethane 1445.33
    ethyl orthosilicate 265.61
    tributyl phosphate 266.72
    diacetone alcohol 668.46
    N,N-dimethylaniline 606.05
    acrylonitrile 1248.45
    aniline 694.8
    1,3-propanediol 586.95
    bromobenzene 1275.32
    dibromomethane 1671.85
    1,1,2,2-tetrachloroethane 2281.89
    2-methyl-cyclohexyl acetate 407.5
    tetrabutyl urea 385.46
    diisobutyl methanol 204.31
    2-phenylethanol 543.76
    styrene 561.57
    dioctyl adipate 394.05
    dimethyl sulfate 968.62
    ethyl butyrate 475.77
    methyl lactate 460.76
    butyl lactate 431.3
    diethyl carbonate 353.37
    propanediol butyl ether 646.45
    triethyl orthoformate 342.86
    p-tert-butyltoluene 228.47
    methyl 4-tert-butylbenzoate 620.21
    morpholine 1490.26
    tert-butylamine 345.63
    n-dodecanol 188.65
    dimethoxymethane 1209.66
    ethylene carbonate 858.17
    cyrene 634.56
    2-ethoxyethyl acetate 734.06
    2-ethylhexyl acetate 448.25
    1,2,4-trichlorobenzene 1231.9
    4-methylpyridine 1637.32
    dibutyl ether 453.01
    2,6-dimethyl-4-heptanol 204.31
    DEF 1223.69
    dimethyl isosorbide 875.33
    tetrachloroethylene 1612.92
    eugenol 706.06
    triacetin 675.64
    span 80 473.63
    1,4-butanediol 354.45
    1,1-dichloroethane 1533.58
    2-methyl-1-pentanol 397.42
    methyl formate 1054.42
    2-methyl-1-butanol 407.06
    n-decane 90.74
    butyronitrile 840.62
    3,7-dimethyl-1-octanol 311.06
    1-chlorooctane 345.53
    1-chlorotetradecane 147.27
    n-nonane 93.44
    undecane 71.41
    tert-butylcyclohexane 125.54
    cyclooctane 75.09
    cyclopentanol 572.62
    tetrahydropyran 1002.94
    tert-amyl methyl ether 456.72
    2,5,8-trioxanonane 928.15
    1-hexene 352.35
    2-isopropoxyethanol 666.32
    2,2,2-trifluoroethanol 443.02
    methyl butyrate 840.44

    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