2-Ethyl-5-methylthiophene

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  • Identifiers

    CAS number
    40323-88-4

    Molecular formula
    C7H10S

    SMILES
    CCC1=CC=C(S1)C

  • Odor profile

    Fragrance
    Fruity 73.61%
    Green 71.62%
    Sulfurous 64.59%
    Roasted 54.08%
    Burnt 52.13%
    Alliaceous 44.17%
    Meaty 43.32%
    Nutty 42.29%
    Onion 41.76%
    Ethereal 41.1%

     

    Flavor
    Roasted 49.64%
    Nutty 49.0%
    Green 41.85%
    Meaty 35.25%
    Sulfury 34.08%
    Coffee 33.52%
    Vegetable 33.3%
    Earthy 33.13%
    Sulfurous 32.17%
    Spicy 32.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.06 (weak base)

    Molecular weight
    126.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 158.00 °C. @ 760.00 mm Hg

    Flash point

    • 27.89 ˚C est.

  • Synonyms

    • 2-Ethyl-5-methylthiophene
    • 40323-88-4
    • Thiophene, 2-ethyl-5-methyl-
    • 2-Methyl-5-ethyl-thiophene
    • 2-ethyl-5-methyl-thiophene
    • DTXSID30334522
    • MFCD00053128
    • YS7HWU7UX2
    • 2-methyl-5-ethylthiophene
    • SCHEMBL96145
    • 2-Ethyl-5-methylthiophene #
    • DTXCID40285612
    • AKOS015897490
    • DS-4186
    • DB-010157
    • CS-0152517
    • NS00126056
    • D82487
    • F0001-1487
    • 609-821-4

  • Applications

    2-Ethyl-5-methylthiophene (CAS 40323-88-4) is primarily used as a building block in organic synthesis, serving as an aryl thiophene intermediate for the preparation of pharmaceutical and agrochemical compounds, as a precursor for conjugated polymers and small-molecule semiconductors used in organic electronics and optoelectronic materials, and as a starting material for thiophene-containing dyes and pigments employed in coatings and inks; it also appears in research and development as a versatile synthetic precursor enabling diverse functionalization.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 305.48
    methanol 235.42
    isopropanol 290.88
    water 0.74
    ethyl acetate 575.91
    n-propanol 308.16
    acetone 696.36
    n-butanol 360.59
    acetonitrile 393.59
    DMF 654.29
    toluene 613.72
    isobutanol 263.83
    1,4-dioxane 1224.4
    methyl acetate 508.53
    THF 1399.67
    2-butanone 604.72
    n-pentanol 281.73
    sec-butanol 312.28
    n-hexane 190.61
    ethylene glycol 66.62
    NMP 748.3
    cyclohexane 236.76
    DMSO 549.69
    n-butyl acetate 712.73
    n-octanol 327.84
    chloroform 1438.06
    n-propyl acetate 408.3
    acetic acid 222.76
    dichloromethane 1157.3
    cyclohexanone 1001.99
    propylene glycol 104.28
    isopropyl acetate 460.92
    DMAc 566.08
    2-ethoxyethanol 409.39
    isopentanol 323.39
    n-heptane 233.26
    ethyl formate 278.48
    1,2-dichloroethane 753.06
    n-hexanol 596.7
    2-methoxyethanol 496.12
    isobutyl acetate 356.67
    tetrachloromethane 448.07
    n-pentyl acetate 443.12
    transcutol 1054.8
    n-heptanol 307.91
    ethylbenzene 313.74
    MIBK 487.23
    2-propoxyethanol 823.86
    tert-butanol 426.29
    MTBE 599.93
    2-butoxyethanol 440.61
    propionic acid 223.31
    o-xylene 372.82
    formic acid 45.56
    diethyl ether 686.68
    m-xylene 454.07
    p-xylene 366.03
    chlorobenzene 668.53
    dimethyl carbonate 233.84
    n-octane 105.24
    formamide 84.19
    cyclopentanone 1034.41
    2-pentanone 605.81
    anisole 622.9
    cyclopentyl methyl ether 833.72
    gamma-butyrolactone 803.42
    1-methoxy-2-propanol 503.28
    pyridine 768.94
    3-pentanone 490.89
    furfural 742.0
    n-dodecane 80.13
    diethylene glycol 410.4
    diisopropyl ether 326.35
    tert-amyl alcohol 393.81
    acetylacetone 677.12
    n-hexadecane 92.5
    acetophenone 477.89
    methyl propionate 420.52
    isopentyl acetate 641.43
    trichloroethylene 1263.92
    n-nonanol 305.93
    cyclohexanol 418.11
    benzyl alcohol 351.05
    2-ethylhexanol 452.3
    isooctanol 268.22
    dipropyl ether 626.37
    1,2-dichlorobenzene 611.73
    ethyl lactate 188.98
    propylene carbonate 505.35
    n-methylformamide 241.6
    2-pentanol 316.1
    n-pentane 156.73
    1-propoxy-2-propanol 640.58
    1-methoxy-2-propyl acetate 638.32
    2-(2-methoxypropoxy) propanol 430.43
    mesitylene 329.25
    ε-caprolactone 747.67
    p-cymene 280.03
    epichlorohydrin 973.47
    1,1,1-trichloroethane 1031.1
    2-aminoethanol 129.14
    morpholine-4-carbaldehyde 872.54
    sulfolane 930.8
    2,2,4-trimethylpentane 104.02
    2-methyltetrahydrofuran 1024.83
    n-hexyl acetate 599.48
    isooctane 103.25
    2-(2-butoxyethoxy)ethanol 575.63
    sec-butyl acetate 353.13
    tert-butyl acetate 581.81
    decalin 165.83
    glycerin 148.2
    diglyme 953.87
    acrylic acid 177.33
    isopropyl myristate 313.34
    n-butyric acid 386.23
    acetyl acetate 421.13
    di(2-ethylhexyl) phthalate 235.87
    ethyl propionate 369.75
    nitromethane 443.04
    1,2-diethoxyethane 710.67
    benzonitrile 488.75
    trioctyl phosphate 189.18
    1-bromopropane 595.12
    gamma-valerolactone 1057.6
    n-decanol 244.24
    triethyl phosphate 246.65
    4-methyl-2-pentanol 240.47
    propionitrile 376.09
    vinylene carbonate 469.78
    1,1,2-trichlorotrifluoroethane 529.45
    DMS 407.7
    cumene 242.83
    2-octanol 245.96
    2-hexanone 498.48
    octyl acetate 362.83
    limonene 436.68
    1,2-dimethoxyethane 817.36
    ethyl orthosilicate 247.7
    tributyl phosphate 225.31
    diacetone alcohol 510.68
    N,N-dimethylaniline 422.07
    acrylonitrile 364.8
    aniline 462.49
    1,3-propanediol 221.6
    bromobenzene 779.53
    dibromomethane 858.99
    1,1,2,2-tetrachloroethane 1023.64
    2-methyl-cyclohexyl acetate 438.0
    tetrabutyl urea 278.5
    diisobutyl methanol 283.28
    2-phenylethanol 538.89
    styrene 402.16
    dioctyl adipate 334.56
    dimethyl sulfate 349.02
    ethyl butyrate 486.05
    methyl lactate 212.98
    butyl lactate 269.57
    diethyl carbonate 305.31
    propanediol butyl ether 322.44
    triethyl orthoformate 357.03
    p-tert-butyltoluene 305.75
    methyl 4-tert-butylbenzoate 465.99
    morpholine 1021.29
    tert-butylamine 320.73
    n-dodecanol 201.29
    dimethoxymethane 644.31
    ethylene carbonate 421.82
    cyrene 412.49
    2-ethoxyethyl acetate 519.65
    2-ethylhexyl acetate 575.62
    1,2,4-trichlorobenzene 708.82
    4-methylpyridine 859.3
    dibutyl ether 472.52
    2,6-dimethyl-4-heptanol 283.28
    DEF 572.17
    dimethyl isosorbide 755.76
    tetrachloroethylene 692.22
    eugenol 434.76
    triacetin 432.61
    span 80 410.91
    1,4-butanediol 120.62
    1,1-dichloroethane 872.88
    2-methyl-1-pentanol 287.04
    methyl formate 214.68
    2-methyl-1-butanol 307.05
    n-decane 124.94
    butyronitrile 454.4
    3,7-dimethyl-1-octanol 341.44
    1-chlorooctane 342.5
    1-chlorotetradecane 170.02
    n-nonane 130.65
    undecane 96.31
    tert-butylcyclohexane 170.99
    cyclooctane 147.29
    cyclopentanol 385.0
    tetrahydropyran 1033.79
    tert-amyl methyl ether 494.83
    2,5,8-trioxanonane 700.39
    1-hexene 386.79
    2-isopropoxyethanol 379.43
    2,2,2-trifluoroethanol 113.67
    methyl butyrate 433.53

    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