2-Acetyl-5-methylthiophene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    13679-74-8

    Molecular formula
    C7H8OS

    SMILES
    CC1=CC=C(S1)C(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 74.71%
    Nutty 69.95%
    Almond 54.57%
    Caramellic 51.05%
    Roasted 47.31%
    Coumarinic 46.29%
    Spicy 45.19%
    Cherry 43.31%
    Vanilla 42.85%
    Burnt 39.51%

     

    Flavor
    Nutty 54.81%
    Roasted 42.21%
    Coffee 40.52%
    Popcorn 38.33%
    Roast 37.09%
    Burnt 36.85%
    Sulfur 36.61%
    Cocoa 35.85%
    Musty 35.18%
    Meaty 33.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.0 (neutral)

    Molecular weight
    140.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 25 °C

    Boiling point

    • 232.00 to 234.00 °C. @ 760.00 mm Hg

    Flash point

    • 66.57 ˚C est.

    Solubility expt.

    • Very slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-Acetyl-5-methylthiophene
    • 13679-74-8
    • 1-(5-methylthiophen-2-yl)ethanone
    • Ethanone, 1-(5-methyl-2-thienyl)-
    • 1-(5-Methyl-2-thienyl)ethan-1-one
    • Ketone, methyl 5-methyl-2-thienyl
    • Methylthienylcetone
    • 2-methyl-5-acetylthiophene
    • 5-methyl-2-acetylthiophene
    • 1-(5-Methyl-2-thienyl)ethanone
    • Methyl 5-methyl-2-thienyl ketone
    • 1-(5-METHYLTHIOPHEN-2-YL)ETHAN-1-ONE
    • Methylthienylcetone [French]
    • BRN 0110854
    • EINECS 237-181-2
    • UNII-2HS3I278W9
    • Thiophene, 2-acetyl-5-methyl
    • AI3-15900
    • 2HS3I278W9
    • MFCD00014529
    • 1-(5-Methyl-thiophen-2-yl)-ethanone
    • FEMA NO. 4643
    • YOSDTJYMDAEEAZ-UHFFFAOYSA-
    • CHEBI:173589
    • DTXSID10159932
    • 1-(5-Methyl-2-thienyl)-Ethanone
    • 5-17-09-00425 (Beilstein Handbook Reference)
    • 1-(5-Methyl-2-thienyl)ethanone, 9CI
    • 5-METHYL-2-THIENYL METHYL KETONE
    • SCHEMBL3351
    • DTXCID7082423
    • FEMA 4643
    • 1-(5-Methyl-thienyl)ethan-1-one
    • 2-Acetyl-5-methylthiophene, 98%
    • GEO-00037
    • STK397394
    • AKOS000200731
    • AB01148
    • CS-W002097
    • FA35741
    • PS-6271
    • SY016983
    • DB-020332
    • A1181
    • NS00021627
    • EN300-12177
    • Q27254761
    • Z85917520

  • Applications

    2-Acetyl-5-methylthiophene (CAS 13679-74-8) is primarily used as an odor-active building block in fragrance chemistry, functioning as a note or precursor in perfume formulations and related personal care products. It is also evaluated as a synthetic intermediate for thiophene-containing compounds in pharmaceutical development and broader organic synthesis. In the materials sector, it serves as a building block for thiophene-based polymers and other thiophene-derived materials, including conductive polymers and protective coatings. Additionally, it is considered a precursor for specialty chemicals used in coatings and inks and other industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 709.83
    methanol 843.32
    isopropanol 621.42
    water 22.82
    ethyl acetate 756.78
    n-propanol 584.52
    acetone 1172.88
    n-butanol 502.43
    acetonitrile 761.87
    DMF 1920.06
    toluene 504.07
    isobutanol 431.68
    1,4-dioxane 1339.94
    methyl acetate 940.46
    THF 1325.11
    2-butanone 939.47
    n-pentanol 315.43
    sec-butanol 516.95
    n-hexane 68.88
    ethylene glycol 382.48
    NMP 1009.54
    cyclohexane 78.17
    DMSO 1021.89
    n-butyl acetate 272.5
    n-octanol 256.82
    chloroform 1503.05
    n-propyl acetate 333.47
    acetic acid 421.31
    dichloromethane 1218.47
    cyclohexanone 859.79
    propylene glycol 422.31
    isopropyl acetate 431.88
    DMAc 1242.82
    2-ethoxyethanol 709.11
    isopentanol 368.07
    n-heptane 51.98
    ethyl formate 465.67
    1,2-dichloroethane 738.03
    n-hexanol 392.06
    2-methoxyethanol 1351.74
    isobutyl acetate 225.71
    tetrachloromethane 315.92
    n-pentyl acetate 238.88
    transcutol 993.01
    n-heptanol 210.77
    ethylbenzene 249.74
    MIBK 421.39
    2-propoxyethanol 839.78
    tert-butanol 625.26
    MTBE 514.07
    2-butoxyethanol 400.57
    propionic acid 484.26
    o-xylene 309.93
    formic acid 249.87
    diethyl ether 638.68
    m-xylene 350.57
    p-xylene 327.17
    chlorobenzene 487.47
    dimethyl carbonate 415.59
    n-octane 37.41
    formamide 407.21
    cyclopentanone 1012.29
    2-pentanone 706.86
    anisole 628.15
    cyclopentyl methyl ether 643.91
    gamma-butyrolactone 922.01
    1-methoxy-2-propanol 1091.76
    pyridine 755.68
    3-pentanone 547.46
    furfural 956.6
    n-dodecane 36.75
    diethylene glycol 766.82
    diisopropyl ether 192.55
    tert-amyl alcohol 468.53
    acetylacetone 886.12
    n-hexadecane 42.11
    acetophenone 461.21
    methyl propionate 691.82
    isopentyl acetate 244.92
    trichloroethylene 1340.57
    n-nonanol 221.02
    cyclohexanol 461.24
    benzyl alcohol 414.17
    2-ethylhexanol 197.22
    isooctanol 165.5
    dipropyl ether 240.09
    1,2-dichlorobenzene 432.29
    ethyl lactate 236.98
    propylene carbonate 470.77
    n-methylformamide 855.36
    2-pentanol 370.04
    n-pentane 67.52
    1-propoxy-2-propanol 471.13
    1-methoxy-2-propyl acetate 417.76
    2-(2-methoxypropoxy) propanol 342.85
    mesitylene 211.77
    ε-caprolactone 628.09
    p-cymene 120.81
    epichlorohydrin 1190.32
    1,1,1-trichloroethane 842.99
    2-aminoethanol 497.64
    morpholine-4-carbaldehyde 1340.28
    sulfolane 929.83
    2,2,4-trimethylpentane 42.76
    2-methyltetrahydrofuran 841.02
    n-hexyl acetate 387.58
    isooctane 37.76
    2-(2-butoxyethoxy)ethanol 457.88
    sec-butyl acetate 247.78
    tert-butyl acetate 430.29
    decalin 63.88
    glycerin 588.56
    diglyme 779.14
    acrylic acid 426.16
    isopropyl myristate 158.47
    n-butyric acid 465.99
    acetyl acetate 446.97
    di(2-ethylhexyl) phthalate 138.47
    ethyl propionate 344.26
    nitromethane 1119.28
    1,2-diethoxyethane 372.55
    benzonitrile 439.9
    trioctyl phosphate 110.72
    1-bromopropane 448.81
    gamma-valerolactone 1302.85
    n-decanol 167.36
    triethyl phosphate 143.92
    4-methyl-2-pentanol 216.47
    propionitrile 499.79
    vinylene carbonate 494.15
    1,1,2-trichlorotrifluoroethane 764.01
    DMS 397.2
    cumene 165.11
    2-octanol 185.48
    2-hexanone 391.54
    octyl acetate 201.0
    limonene 170.19
    1,2-dimethoxyethane 938.58
    ethyl orthosilicate 135.41
    tributyl phosphate 123.41
    diacetone alcohol 550.29
    N,N-dimethylaniline 378.23
    acrylonitrile 670.8
    aniline 503.12
    1,3-propanediol 635.18
    bromobenzene 513.82
    dibromomethane 800.34
    1,1,2,2-tetrachloroethane 1016.46
    2-methyl-cyclohexyl acetate 198.29
    tetrabutyl urea 170.41
    diisobutyl methanol 128.86
    2-phenylethanol 386.2
    styrene 311.49
    dioctyl adipate 179.62
    dimethyl sulfate 640.6
    ethyl butyrate 226.23
    methyl lactate 441.15
    butyl lactate 200.66
    diethyl carbonate 164.98
    propanediol butyl ether 387.53
    triethyl orthoformate 168.6
    p-tert-butyltoluene 131.58
    methyl 4-tert-butylbenzoate 338.38
    morpholine 1212.79
    tert-butylamine 355.61
    n-dodecanol 132.24
    dimethoxymethane 1117.66
    ethylene carbonate 382.91
    cyrene 375.56
    2-ethoxyethyl acetate 369.16
    2-ethylhexyl acetate 196.39
    1,2,4-trichlorobenzene 519.49
    4-methylpyridine 881.97
    dibutyl ether 224.12
    2,6-dimethyl-4-heptanol 128.86
    DEF 698.03
    dimethyl isosorbide 490.59
    tetrachloroethylene 649.34
    eugenol 362.57
    triacetin 324.66
    span 80 289.14
    1,4-butanediol 282.06
    1,1-dichloroethane 912.58
    2-methyl-1-pentanol 257.13
    methyl formate 719.72
    2-methyl-1-butanol 365.31
    n-decane 56.64
    butyronitrile 469.89
    3,7-dimethyl-1-octanol 207.55
    1-chlorooctane 193.55
    1-chlorotetradecane 84.75
    n-nonane 56.66
    undecane 44.19
    tert-butylcyclohexane 67.61
    cyclooctane 41.94
    cyclopentanol 502.05
    tetrahydropyran 836.67
    tert-amyl methyl ether 391.04
    2,5,8-trioxanonane 539.06
    1-hexene 200.69
    2-isopropoxyethanol 482.55
    2,2,2-trifluoroethanol 286.01
    methyl butyrate 398.62

    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