1-(2-Thienyl)acetone

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  • Identifiers

    CAS number
    15022-18-1

    Molecular formula
    C7H8OS

    SMILES
    CC(=O)CC1=CC=CS1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 70.6%
    Burnt 51.93%
    Roasted 50.05%
    Nutty 44.75%
    Meaty 43.84%
    Caramellic 43.72%
    Woody 42.36%
    Coffee 38.49%
    Spicy 37.22%
    Sulfurous 36.79%

     

    Flavor
    Spicy 36.21%
    Roasted 35.48%
    Coffee 34.04%
    Sulfurous 33.88%
    Sulfury 33.15%
    Vegetable 31.26%
    Nutty 30.05%
    Sulfur 29.86%
    Meaty 29.24%
    Onion 27.14%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.51 (neutral)

    Molecular weight
    140.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    214°C

    Flash point

    • 70.34 ˚C est.

  • Synonyms

    • 1-(2-thienyl)acetone
    • 15022-18-1
    • RefChem:422671
    • 872-916-6
    • 1-(thiophen-2-yl)propan-2-one
    • 1-thiophen-2-ylpropan-2-one
    • 2-Propanone, 1-(2-thienyl)-
    • MFCD00125263
    • 1-(2-thienyl)acetone(SALTDATA: FREE)
    • 2-Propanone, 1-(2-thienyl)
    • 1-(2-thienyl)-2-Propanone
    • 2-acetonylthiophene
    • 1-(2-thienyl)propan-2-one
    • SCHEMBL681510
    • SCHEMBL5747151
    • SCHEMBL10941143
    • SCHEMBL21808693
    • SCHEMBL28039043
    • SCHEMBL28039066
    • SCHEMBL28039090
    • FOWXQMONAFWJAD-UHFFFAOYSA-N
    • DTXSID601376533
    • ALBB-016451
    • AKOS000215973
    • AS-59161
    • DA-10013
    • CS-0037233
    • EN300-70130
    • W16827
    • 15022-18-1

  • Applications

    1-(2-Thienyl)acetone (CAS 15022-18-1) is a versatile building block in organic synthesis, commonly used as a precursor for thiophene-containing heterocycles in pharmaceutical and agrochemical development. It also serves as a starting material for thiophene-based polymers and other advanced materials, including conductive polymers and functional coatings. In fragrance and flavor chemistry, it may be used as an odorant precursor or fragrance intermediate, while in coatings and inks it can act as a functionalized building block for material formulations. It is also employed in research and process chemistry to explore new heteroaromatic compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 583.8
    methanol 849.84
    isopropanol 488.1
    water 49.67
    ethyl acetate 394.0
    n-propanol 502.12
    acetone 769.36
    n-butanol 397.0
    acetonitrile 518.93
    DMF 1636.55
    toluene 277.94
    isobutanol 368.06
    1,4-dioxane 731.36
    methyl acetate 503.36
    THF 719.54
    2-butanone 555.69
    n-pentanol 301.89
    sec-butanol 403.33
    n-hexane 59.14
    ethylene glycol 539.68
    NMP 876.45
    cyclohexane 56.26
    DMSO 870.66
    n-butyl acetate 171.71
    n-octanol 228.52
    chloroform 918.32
    n-propyl acetate 216.64
    acetic acid 422.51
    dichloromethane 714.68
    cyclohexanone 579.28
    propylene glycol 547.39
    isopropyl acetate 239.0
    DMAc 1184.76
    2-ethoxyethanol 635.4
    isopentanol 297.38
    n-heptane 49.65
    ethyl formate 257.15
    1,2-dichloroethane 398.11
    n-hexanol 362.25
    2-methoxyethanol 1072.4
    isobutyl acetate 166.88
    tetrachloromethane 156.74
    n-pentyl acetate 149.86
    transcutol 1015.11
    n-heptanol 182.51
    ethylbenzene 144.38
    MIBK 289.48
    2-propoxyethanol 762.32
    tert-butanol 462.05
    MTBE 330.88
    2-butoxyethanol 360.63
    propionic acid 428.74
    o-xylene 196.29
    formic acid 268.68
    diethyl ether 376.96
    m-xylene 211.38
    p-xylene 171.79
    chlorobenzene 280.84
    dimethyl carbonate 273.51
    n-octane 26.69
    formamide 303.45
    cyclopentanone 683.38
    2-pentanone 455.22
    anisole 391.93
    cyclopentyl methyl ether 426.57
    gamma-butyrolactone 567.16
    1-methoxy-2-propanol 880.78
    pyridine 442.09
    3-pentanone 378.85
    furfural 602.72
    n-dodecane 30.69
    diethylene glycol 789.56
    diisopropyl ether 126.51
    tert-amyl alcohol 360.19
    acetylacetone 527.56
    n-hexadecane 33.76
    acetophenone 338.53
    methyl propionate 430.22
    isopentyl acetate 165.46
    trichloroethylene 701.55
    n-nonanol 191.56
    cyclohexanol 343.03
    benzyl alcohol 321.51
    2-ethylhexanol 183.45
    isooctanol 144.43
    dipropyl ether 195.19
    1,2-dichlorobenzene 263.27
    ethyl lactate 214.01
    propylene carbonate 305.43
    n-methylformamide 604.19
    2-pentanol 286.01
    n-pentane 58.09
    1-propoxy-2-propanol 443.33
    1-methoxy-2-propyl acetate 298.16
    2-(2-methoxypropoxy) propanol 347.46
    mesitylene 134.2
    ε-caprolactone 428.74
    p-cymene 100.61
    epichlorohydrin 620.82
    1,1,1-trichloroethane 440.58
    2-aminoethanol 584.66
    morpholine-4-carbaldehyde 1046.11
    sulfolane 672.04
    2,2,4-trimethylpentane 37.07
    2-methyltetrahydrofuran 482.97
    n-hexyl acetate 276.83
    isooctane 31.31
    2-(2-butoxyethoxy)ethanol 443.22
    sec-butyl acetate 165.38
    tert-butyl acetate 256.6
    decalin 50.51
    glycerin 717.28
    diglyme 696.05
    acrylic acid 433.19
    isopropyl myristate 121.94
    n-butyric acid 366.49
    acetyl acetate 244.63
    di(2-ethylhexyl) phthalate 138.09
    ethyl propionate 227.54
    nitromethane 710.92
    1,2-diethoxyethane 274.89
    benzonitrile 318.07
    trioctyl phosphate 98.32
    1-bromopropane 274.05
    gamma-valerolactone 840.64
    n-decanol 151.51
    triethyl phosphate 108.85
    4-methyl-2-pentanol 182.87
    propionitrile 356.83
    vinylene carbonate 313.75
    1,1,2-trichlorotrifluoroethane 616.18
    DMS 264.87
    cumene 114.88
    2-octanol 134.52
    2-hexanone 284.26
    octyl acetate 155.31
    limonene 140.78
    1,2-dimethoxyethane 697.16
    ethyl orthosilicate 108.45
    tributyl phosphate 107.32
    diacetone alcohol 411.52
    N,N-dimethylaniline 277.81
    acrylonitrile 480.04
    aniline 331.63
    1,3-propanediol 542.62
    bromobenzene 273.01
    dibromomethane 470.82
    1,1,2,2-tetrachloroethane 597.63
    2-methyl-cyclohexyl acetate 161.57
    tetrabutyl urea 158.95
    diisobutyl methanol 112.79
    2-phenylethanol 284.81
    styrene 190.49
    dioctyl adipate 163.03
    dimethyl sulfate 446.99
    ethyl butyrate 154.31
    methyl lactate 392.09
    butyl lactate 171.74
    diethyl carbonate 114.17
    propanediol butyl ether 411.26
    triethyl orthoformate 127.01
    p-tert-butyltoluene 102.47
    methyl 4-tert-butylbenzoate 276.22
    morpholine 739.29
    tert-butylamine 279.08
    n-dodecanol 122.48
    dimethoxymethane 798.64
    ethylene carbonate 246.96
    cyrene 361.7
    2-ethoxyethyl acetate 233.3
    2-ethylhexyl acetate 130.98
    1,2,4-trichlorobenzene 338.15
    4-methylpyridine 481.11
    dibutyl ether 164.79
    2,6-dimethyl-4-heptanol 112.79
    DEF 541.22
    dimethyl isosorbide 410.07
    tetrachloroethylene 399.92
    eugenol 307.8
    triacetin 299.12
    span 80 298.53
    1,4-butanediol 333.74
    1,1-dichloroethane 491.72
    2-methyl-1-pentanol 228.93
    methyl formate 446.22
    2-methyl-1-butanol 310.41
    n-decane 44.47
    butyronitrile 305.18
    3,7-dimethyl-1-octanol 193.02
    1-chlorooctane 142.0
    1-chlorotetradecane 70.58
    n-nonane 43.46
    undecane 36.19
    tert-butylcyclohexane 52.58
    cyclooctane 30.13
    cyclopentanol 375.19
    tetrahydropyran 470.7
    tert-amyl methyl ether 275.03
    2,5,8-trioxanonane 509.05
    1-hexene 157.73
    2-isopropoxyethanol 408.16
    2,2,2-trifluoroethanol 242.33
    methyl butyrate 268.04

    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