1-(5-Methyl-2-thienyl)-1-propanone

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  • Identifiers

    CAS number
    59303-13-8

    Molecular formula
    C8H10OS

    SMILES
    CCC(=O)C1=CC=C(S1)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 58.06%
    Nutty 56.35%
    Roasted 51.17%
    Caramellic 50.11%
    Meaty 38.15%
    Sweet 37.58%
    Burnt 35.79%
    Coffee 33.12%
    Green 32.25%
    Almond 31.56%

     

    Flavor
    Nutty 47.88%
    Roasted 40.13%
    Roast 37.76%
    Burnt 33.18%
    Caramel 33.08%
    Coffee 32.58%
    Popcorn 32.39%
    Oily 29.26%
    Musty 29.0%
    Potato 27.68%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.68 (neutral)

    Molecular weight
    154.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    231°C

    Melting point expt.

    • 31 °C

    Flash point

    • 81.94 ˚C est.

  • Synonyms

    • 59303-13-8
    • 1-(5-methylthiophen-2-yl)propan-1-one
    • 1-(5-Methyl-2-thienyl)-1-propanone
    • GKZ2VHU9T9
    • RefChem:1054520
    • 2-Methyl-5-propionylthiophene
    • 1-(5-methylthien-2-yl)propan-1-one
    • 1-(5-Methyl-2-thienyl)propan-1-one
    • MFCD00053143
    • 1-Propanone, 1-(5-methyl-2-thienyl)-
    • Thiophene, 2-methyl-5-propionyl
    • 1-(2-Methyl-5-thienyI)-1-propanone
    • 1-Propanone,1-(5-methyl-2-thienyl)-
    • 2-Methyl-5-propanoylthiophene
    • SCHEMBL4140001
    • DTXSID40342279
    • CHEBI:173418
    • ROPOMQPSWIOWSN-UHFFFAOYSA-N
    • ALBB-002874
    • BBL016562
    • STK424538
    • AKOS000158645
    • 1-(5-Methyl-2-thienyl)-1-propanone #
    • DA-18590
    • VS-05368
    • CS-0213315
    • ST50928050
    • G70830
    • 1-(5-Methyl-2-thienyl)propan-1-one, AldrichCPR
    • Q63399351
    • 59303-13-8

  • Applications

    1-(5-Methyl-2-thienyl)-1-propanone (CAS 59303-13-8) is primarily used as an organic synthesis intermediate, enabling access to heteroaryl ketone compounds. In pharmaceutical development, it may serve as a building block for drug candidates and related intermediates; in agrochemical research, it is evaluated as a precursor for heteroaryl agrochemicals. In the fragrance and cosmetic sectors, it can be used as an aroma-chemical intermediate or scent-building block. In coatings, inks, and adhesives, it is employed as a specialty intermediate for resin synthesis and functional formulations. In polymer and materials science, it may function as a precursor for functional monomers or crosslinkable building blocks in research settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 273.06
    methanol 294.39
    isopropanol 268.89
    water 4.71
    ethyl acetate 319.97
    n-propanol 253.0
    acetone 507.71
    n-butanol 277.36
    acetonitrile 355.0
    DMF 1034.07
    toluene 446.84
    isobutanol 237.94
    1,4-dioxane 591.77
    methyl acetate 440.01
    THF 587.42
    2-butanone 482.37
    n-pentanol 238.62
    sec-butanol 286.44
    n-hexane 40.35
    ethylene glycol 119.49
    NMP 782.04
    cyclohexane 76.53
    DMSO 529.73
    n-butyl acetate 337.09
    n-octanol 251.93
    chloroform 1472.04
    n-propyl acetate 281.59
    acetic acid 247.17
    dichloromethane 1229.42
    cyclohexanone 729.79
    propylene glycol 128.2
    isopropyl acetate 231.15
    DMAc 830.62
    2-ethoxyethanol 349.38
    isopentanol 256.36
    n-heptane 54.21
    ethyl formate 313.16
    1,2-dichloroethane 644.51
    n-hexanol 304.29
    2-methoxyethanol 467.14
    isobutyl acetate 213.88
    tetrachloromethane 320.07
    n-pentyl acetate 267.7
    transcutol 602.46
    n-heptanol 201.12
    ethylbenzene 290.99
    MIBK 269.84
    2-propoxyethanol 467.63
    tert-butanol 334.4
    MTBE 298.7
    2-butoxyethanol 298.71
    propionic acid 255.13
    o-xylene 345.02
    formic acid 80.74
    diethyl ether 237.8
    m-xylene 347.99
    p-xylene 388.82
    chlorobenzene 534.55
    dimethyl carbonate 202.28
    n-octane 38.7
    formamide 151.0
    cyclopentanone 724.78
    2-pentanone 366.1
    anisole 479.92
    cyclopentyl methyl ether 325.48
    gamma-butyrolactone 649.38
    1-methoxy-2-propanol 370.75
    pyridine 624.43
    3-pentanone 314.86
    furfural 796.22
    n-dodecane 45.28
    diethylene glycol 373.82
    diisopropyl ether 114.98
    tert-amyl alcohol 313.41
    acetylacetone 463.78
    n-hexadecane 51.11
    acetophenone 466.23
    methyl propionate 302.58
    isopentyl acetate 322.65
    trichloroethylene 1310.99
    n-nonanol 217.32
    cyclohexanol 321.63
    benzyl alcohol 398.2
    2-ethylhexanol 232.32
    isooctanol 177.95
    dipropyl ether 194.44
    1,2-dichlorobenzene 530.7
    ethyl lactate 196.04
    propylene carbonate 464.97
    n-methylformamide 360.14
    2-pentanol 217.9
    n-pentane 46.14
    1-propoxy-2-propanol 317.48
    1-methoxy-2-propyl acetate 335.28
    2-(2-methoxypropoxy) propanol 325.95
    mesitylene 226.07
    ε-caprolactone 563.27
    p-cymene 207.27
    epichlorohydrin 702.57
    1,1,1-trichloroethane 732.44
    2-aminoethanol 170.7
    morpholine-4-carbaldehyde 874.99
    sulfolane 756.23
    2,2,4-trimethylpentane 43.36
    2-methyltetrahydrofuran 463.34
    n-hexyl acetate 373.91
    isooctane 35.35
    2-(2-butoxyethoxy)ethanol 385.0
    sec-butyl acetate 216.61
    tert-butyl acetate 270.6
    decalin 71.07
    glycerin 205.59
    diglyme 657.08
    acrylic acid 244.9
    isopropyl myristate 193.34
    n-butyric acid 308.35
    acetyl acetate 254.34
    di(2-ethylhexyl) phthalate 179.65
    ethyl propionate 250.24
    nitromethane 485.52
    1,2-diethoxyethane 327.17
    benzonitrile 578.22
    trioctyl phosphate 135.15
    1-bromopropane 356.62
    gamma-valerolactone 840.18
    n-decanol 172.31
    triethyl phosphate 169.26
    4-methyl-2-pentanol 152.5
    propionitrile 310.97
    vinylene carbonate 523.68
    1,1,2-trichlorotrifluoroethane 489.57
    DMS 312.07
    cumene 208.62
    2-octanol 188.75
    2-hexanone 326.79
    octyl acetate 234.89
    limonene 254.26
    1,2-dimethoxyethane 588.5
    ethyl orthosilicate 165.51
    tributyl phosphate 153.04
    diacetone alcohol 309.18
    N,N-dimethylaniline 362.0
    acrylonitrile 443.43
    aniline 379.97
    1,3-propanediol 256.55
    bromobenzene 607.5
    dibromomethane 797.71
    1,1,2,2-tetrachloroethane 946.79
    2-methyl-cyclohexyl acetate 270.38
    tetrabutyl urea 215.84
    diisobutyl methanol 143.24
    2-phenylethanol 382.18
    styrene 359.47
    dioctyl adipate 231.27
    dimethyl sulfate 315.83
    ethyl butyrate 283.59
    methyl lactate 203.26
    butyl lactate 218.06
    diethyl carbonate 224.42
    propanediol butyl ether 288.66
    triethyl orthoformate 201.99
    p-tert-butyltoluene 197.13
    methyl 4-tert-butylbenzoate 355.73
    morpholine 534.43
    tert-butylamine 237.32
    n-dodecanol 141.24
    dimethoxymethane 419.48
    ethylene carbonate 384.44
    cyrene 345.52
    2-ethoxyethyl acetate 322.53
    2-ethylhexyl acetate 272.86
    1,2,4-trichlorobenzene 586.17
    4-methylpyridine 748.42
    dibutyl ether 226.96
    2,6-dimethyl-4-heptanol 143.24
    DEF 454.45
    dimethyl isosorbide 476.16
    tetrachloroethylene 622.36
    eugenol 382.91
    triacetin 333.36
    span 80 283.21
    1,4-butanediol 162.07
    1,1-dichloroethane 716.12
    2-methyl-1-pentanol 247.11
    methyl formate 336.81
    2-methyl-1-butanol 262.84
    n-decane 63.2
    butyronitrile 356.52
    3,7-dimethyl-1-octanol 229.06
    1-chlorooctane 202.67
    1-chlorotetradecane 102.49
    n-nonane 60.73
    undecane 52.24
    tert-butylcyclohexane 68.8
    cyclooctane 37.63
    cyclopentanol 305.09
    tetrahydropyran 420.52
    tert-amyl methyl ether 269.98
    2,5,8-trioxanonane 475.4
    1-hexene 144.28
    2-isopropoxyethanol 291.64
    2,2,2-trifluoroethanol 143.77
    methyl butyrate 344.53

    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