2-Ethyl-4-methylthiophene

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  • Identifiers

    CAS number
    66577-04-6

    Molecular formula
    C7H10S

    SMILES
    CCC1=CC(=CS1)C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 60.49%
    Sulfurous 58.53%
    Fruity 57.52%
    Green 54.54%
    Burnt 46.55%
    Meaty 44.71%
    Onion 41.05%
    Coffee 39.44%
    Alliaceous 37.95%
    Nutty 34.84%

     

    Flavor
    Nutty 53.6%
    Green 50.12%
    Roasted 44.63%
    Earthy 41.28%
    Spicy 38.27%
    Vegetable 36.58%
    Meaty 36.19%
    Fruity 35.05%
    Woody 32.84%
    Coffee 27.79%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.69 (neutral)

    Molecular weight
    126.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    161°C

    Flash point

    • 31.06 ˚C est.

  • Synonyms

    • 2-ethyl-4-methylthiophene
    • 66577-04-6
    • Thiophene, 2-ethyl-4-methyl
    • SCHEMBL130846
    • SCHEMBL132217
    • SCHEMBL132218
    • SCHEMBL8939106
    • SCHEMBL10474077
    • NZOYEHPXDWJOCD-UHFFFAOYSA-N
    • DTXSID501350542
    • EN300-7111926
    • 66577-04-6

  • Applications

    2-Ethyl-4-methylthiophene, CAS 66577-04-6, is mainly used as an organic synthesis intermediate for thiophene-containing compounds, supporting the construction of heteroaromatic structures and serving as a precursor for applications in pharmaceuticals and agrochemicals; in the materials field, it is used as a building block or comonomer for thiophene-based polymers (such as polythiophene) to support electronic and sensing applications; it is also employed as a precursor for colorants and coatings in the paint and pigment industries; and it may function as a precursor for other advanced organic compounds depending on the process and local regulatory guidelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 363.55
    methanol 280.7
    isopropanol 325.68
    water 0.58
    ethyl acetate 573.85
    n-propanol 339.24
    acetone 752.34
    n-butanol 398.38
    acetonitrile 411.28
    DMF 669.67
    toluene 598.61
    isobutanol 284.68
    1,4-dioxane 1334.87
    methyl acetate 494.6
    THF 1559.97
    2-butanone 623.29
    n-pentanol 307.43
    sec-butanol 323.15
    n-hexane 214.19
    ethylene glycol 67.75
    NMP 795.13
    cyclohexane 272.03
    DMSO 644.0
    n-butyl acetate 767.93
    n-octanol 323.69
    chloroform 1251.65
    n-propyl acetate 416.81
    acetic acid 213.85
    dichloromethane 1073.37
    cyclohexanone 1045.72
    propylene glycol 101.56
    isopropyl acetate 450.07
    DMAc 555.0
    2-ethoxyethanol 398.98
    isopentanol 353.37
    n-heptane 243.35
    ethyl formate 277.38
    1,2-dichloroethane 729.69
    n-hexanol 666.52
    2-methoxyethanol 503.56
    isobutyl acetate 355.82
    tetrachloromethane 399.76
    n-pentyl acetate 432.67
    transcutol 1062.8
    n-heptanol 313.94
    ethylbenzene 280.01
    MIBK 504.01
    2-propoxyethanol 866.16
    tert-butanol 447.44
    MTBE 616.11
    2-butoxyethanol 435.43
    propionic acid 219.23
    o-xylene 336.16
    formic acid 42.6
    diethyl ether 750.83
    m-xylene 431.55
    p-xylene 325.85
    chlorobenzene 626.94
    dimethyl carbonate 220.14
    n-octane 100.84
    formamide 75.07
    cyclopentanone 1079.37
    2-pentanone 640.02
    anisole 528.22
    cyclopentyl methyl ether 866.71
    gamma-butyrolactone 839.92
    1-methoxy-2-propanol 503.38
    pyridine 771.48
    3-pentanone 492.97
    furfural 712.59
    n-dodecane 76.53
    diethylene glycol 435.1
    diisopropyl ether 329.27
    tert-amyl alcohol 391.1
    acetylacetone 667.97
    n-hexadecane 88.08
    acetophenone 420.32
    methyl propionate 415.39
    isopentyl acetate 654.65
    trichloroethylene 1141.65
    n-nonanol 299.09
    cyclohexanol 447.8
    benzyl alcohol 321.09
    2-ethylhexanol 463.17
    isooctanol 262.16
    dipropyl ether 664.4
    1,2-dichlorobenzene 531.87
    ethyl lactate 171.85
    propylene carbonate 494.15
    n-methylformamide 236.86
    2-pentanol 329.55
    n-pentane 177.23
    1-propoxy-2-propanol 658.06
    1-methoxy-2-propyl acetate 624.47
    2-(2-methoxypropoxy) propanol 402.98
    mesitylene 312.1
    ε-caprolactone 755.77
    p-cymene 260.71
    epichlorohydrin 985.21
    1,1,1-trichloroethane 910.98
    2-aminoethanol 127.47
    morpholine-4-carbaldehyde 887.4
    sulfolane 985.47
    2,2,4-trimethylpentane 103.11
    2-methyltetrahydrofuran 1128.59
    n-hexyl acetate 579.74
    isooctane 106.45
    2-(2-butoxyethoxy)ethanol 538.91
    sec-butyl acetate 337.24
    tert-butyl acetate 565.98
    decalin 162.03
    glycerin 145.24
    diglyme 908.68
    acrylic acid 167.79
    isopropyl myristate 295.78
    n-butyric acid 377.95
    acetyl acetate 368.94
    di(2-ethylhexyl) phthalate 221.38
    ethyl propionate 352.23
    nitromethane 418.2
    1,2-diethoxyethane 719.29
    benzonitrile 461.07
    trioctyl phosphate 175.4
    1-bromopropane 599.31
    gamma-valerolactone 1080.94
    n-decanol 235.97
    triethyl phosphate 218.79
    4-methyl-2-pentanol 239.01
    propionitrile 377.5
    vinylene carbonate 446.43
    1,1,2-trichlorotrifluoroethane 479.05
    DMS 375.1
    cumene 220.75
    2-octanol 240.56
    2-hexanone 509.4
    octyl acetate 339.39
    limonene 418.94
    1,2-dimethoxyethane 812.81
    ethyl orthosilicate 224.61
    tributyl phosphate 208.27
    diacetone alcohol 504.17
    N,N-dimethylaniline 364.2
    acrylonitrile 360.71
    aniline 460.1
    1,3-propanediol 223.51
    bromobenzene 727.4
    dibromomethane 827.49
    1,1,2,2-tetrachloroethane 919.6
    2-methyl-cyclohexyl acetate 405.59
    tetrabutyl urea 274.86
    diisobutyl methanol 274.42
    2-phenylethanol 513.47
    styrene 365.67
    dioctyl adipate 301.33
    dimethyl sulfate 326.06
    ethyl butyrate 461.97
    methyl lactate 197.8
    butyl lactate 253.91
    diethyl carbonate 273.78
    propanediol butyl ether 315.73
    triethyl orthoformate 328.03
    p-tert-butyltoluene 279.6
    methyl 4-tert-butylbenzoate 405.43
    morpholine 1117.55
    tert-butylamine 330.63
    n-dodecanol 194.88
    dimethoxymethane 645.8
    ethylene carbonate 407.03
    cyrene 379.07
    2-ethoxyethyl acetate 497.38
    2-ethylhexyl acetate 582.35
    1,2,4-trichlorobenzene 609.73
    4-methylpyridine 832.56
    dibutyl ether 472.3
    2,6-dimethyl-4-heptanol 274.42
    DEF 572.52
    dimethyl isosorbide 700.87
    tetrachloroethylene 643.01
    eugenol 381.6
    triacetin 382.99
    span 80 393.67
    1,4-butanediol 124.27
    1,1-dichloroethane 826.15
    2-methyl-1-pentanol 299.2
    methyl formate 219.64
    2-methyl-1-butanol 327.78
    n-decane 118.03
    butyronitrile 472.47
    3,7-dimethyl-1-octanol 328.02
    1-chlorooctane 328.89
    1-chlorotetradecane 161.85
    n-nonane 125.3
    undecane 91.72
    tert-butylcyclohexane 162.37
    cyclooctane 152.82
    cyclopentanol 417.64
    tetrahydropyran 1164.27
    tert-amyl methyl ether 487.84
    2,5,8-trioxanonane 647.14
    1-hexene 439.28
    2-isopropoxyethanol 360.36
    2,2,2-trifluoroethanol 93.46
    methyl butyrate 421.64

    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