2-Ethyl-3-methylthiophene

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  • Identifiers

    CAS number
    31805-48-8

    Molecular formula
    C7H10S

    SMILES
    CCC1=C(C=CS1)C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 65.98%
    Meaty 52.45%
    Sulfurous 47.64%
    Burnt 45.14%
    Nutty 43.6%
    Onion 42.74%
    Coffee 42.15%
    Green 40.52%
    Savory 35.6%
    Alliaceous 34.98%

     

    Flavor
    Green 75.15%
    Nutty 59.02%
    Earthy 43.83%
    Vegetable 43.22%
    Roasted 38.88%
    Meaty 33.83%
    Spicy 33.49%
    Fruity 31.76%
    Raw 27.16%
    Tomato 26.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.01 (weak base)

    Molecular weight
    126.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    168°C

    Flash point

    • 34.25 ˚C est.

  • Synonyms

    • 2-Ethyl-3-methylthiophene
    • 31805-48-8
    • EINECS 250-813-1
    • Thiophene, 2-ethyl-3-methyl-
    • 3-methyl-2-ethylthiophene
    • 2-Ethyl -3-methylthiophene
    • SCHEMBL256017
    • SCHEMBL5280796
    • SCHEMBL10514271
    • SCHEMBL11838509
    • SCHEMBL17980401
    • DTXSID60185680
    • DB-313980
    • NS00050309
    • 31805-48-8

  • Applications

    2-Ethyl-3-methylthiophene (CAS 31805-48-8) is used primarily as an organic synthesis intermediate and building block in several high-value specialty sectors. In perfumery and flavors, it serves as a fragrance precursor for thiophene-based notes. In cosmetics and personal care, it serves as an intermediate for fragrance materials and formulation ingredients. In polymers and plastics, it can function as a monomer or functionalized thiophene segment for conductive polymers and advanced materials. In coatings and inks, it is employed as a specialty intermediate for aromatic additives and resin modifications. In electronics and organic electronics, it is evaluated as a precursor to polythiophene-type materials for sensors and flexible devices. In pharmaceuticals, it can act as an intermediate in the synthesis of heteroaromatic compounds used in drug discovery.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 258.85
    methanol 258.62
    isopropanol 171.6
    water 0.65
    ethyl acetate 388.2
    n-propanol 232.24
    acetone 345.61
    n-butanol 257.69
    acetonitrile 264.07
    DMF 357.78
    toluene 430.5
    isobutanol 166.48
    1,4-dioxane 1019.95
    methyl acetate 321.69
    THF 998.49
    2-butanone 375.69
    n-pentanol 209.27
    sec-butanol 186.89
    n-hexane 100.69
    ethylene glycol 38.37
    NMP 473.66
    cyclohexane 185.01
    DMSO 326.49
    n-butyl acetate 527.36
    n-octanol 139.77
    chloroform 1082.71
    n-propyl acetate 287.12
    acetic acid 191.67
    dichloromethane 965.14
    cyclohexanone 681.95
    propylene glycol 44.09
    isopropyl acetate 279.01
    DMAc 320.54
    2-ethoxyethanol 280.74
    isopentanol 217.33
    n-heptane 130.28
    ethyl formate 221.16
    1,2-dichloroethane 635.68
    n-hexanol 338.04
    2-methoxyethanol 355.36
    isobutyl acetate 218.68
    tetrachloromethane 323.81
    n-pentyl acetate 265.26
    transcutol 900.01
    n-heptanol 158.57
    ethylbenzene 178.83
    MIBK 259.06
    2-propoxyethanol 484.54
    tert-butanol 240.34
    MTBE 373.61
    2-butoxyethanol 257.51
    propionic acid 159.54
    o-xylene 219.99
    formic acid 66.79
    diethyl ether 579.31
    m-xylene 256.62
    p-xylene 211.6
    chlorobenzene 517.77
    dimethyl carbonate 122.92
    n-octane 47.8
    formamide 116.49
    cyclopentanone 615.74
    2-pentanone 354.6
    anisole 392.67
    cyclopentyl methyl ether 503.74
    gamma-butyrolactone 547.29
    1-methoxy-2-propanol 254.28
    pyridine 736.05
    3-pentanone 304.58
    furfural 593.32
    n-dodecane 32.26
    diethylene glycol 230.83
    diisopropyl ether 194.45
    tert-amyl alcohol 227.04
    acetylacetone 371.0
    n-hexadecane 37.67
    acetophenone 293.57
    methyl propionate 260.47
    isopentyl acetate 451.54
    trichloroethylene 1010.14
    n-nonanol 145.47
    cyclohexanol 255.18
    benzyl alcohol 224.24
    2-ethylhexanol 253.26
    isooctanol 141.27
    dipropyl ether 448.33
    1,2-dichlorobenzene 445.0
    ethyl lactate 93.54
    propylene carbonate 309.37
    n-methylformamide 180.26
    2-pentanol 180.98
    n-pentane 96.64
    1-propoxy-2-propanol 348.39
    1-methoxy-2-propyl acetate 440.36
    2-(2-methoxypropoxy) propanol 283.71
    mesitylene 177.55
    ε-caprolactone 505.6
    p-cymene 171.87
    epichlorohydrin 738.51
    1,1,1-trichloroethane 702.69
    2-aminoethanol 86.12
    morpholine-4-carbaldehyde 631.74
    sulfolane 570.81
    2,2,4-trimethylpentane 56.52
    2-methyltetrahydrofuran 761.84
    n-hexyl acetate 312.02
    isooctane 54.0
    2-(2-butoxyethoxy)ethanol 375.12
    sec-butyl acetate 210.05
    tert-butyl acetate 356.2
    decalin 91.29
    glycerin 73.64
    diglyme 688.35
    acrylic acid 128.03
    isopropyl myristate 179.11
    n-butyric acid 278.22
    acetyl acetate 257.2
    di(2-ethylhexyl) phthalate 146.39
    ethyl propionate 234.39
    nitromethane 334.34
    1,2-diethoxyethane 627.18
    benzonitrile 357.12
    trioctyl phosphate 102.4
    1-bromopropane 471.21
    gamma-valerolactone 780.27
    n-decanol 116.32
    triethyl phosphate 169.34
    4-methyl-2-pentanol 128.2
    propionitrile 289.46
    vinylene carbonate 328.89
    1,1,2-trichlorotrifluoroethane 348.72
    DMS 229.65
    cumene 134.9
    2-octanol 109.22
    2-hexanone 308.76
    octyl acetate 197.84
    limonene 266.6
    1,2-dimethoxyethane 594.18
    ethyl orthosilicate 181.82
    tributyl phosphate 134.33
    diacetone alcohol 270.1
    N,N-dimethylaniline 248.1
    acrylonitrile 270.19
    aniline 343.87
    1,3-propanediol 146.35
    bromobenzene 586.7
    dibromomethane 715.72
    1,1,2,2-tetrachloroethane 715.47
    2-methyl-cyclohexyl acetate 307.93
    tetrabutyl urea 173.58
    diisobutyl methanol 163.88
    2-phenylethanol 324.4
    styrene 257.52
    dioctyl adipate 208.22
    dimethyl sulfate 169.67
    ethyl butyrate 367.68
    methyl lactate 96.19
    butyl lactate 143.8
    diethyl carbonate 231.64
    propanediol butyl ether 146.85
    triethyl orthoformate 276.68
    p-tert-butyltoluene 173.78
    methyl 4-tert-butylbenzoate 264.94
    morpholine 880.86
    tert-butylamine 197.44
    n-dodecanol 95.74
    dimethoxymethane 405.66
    ethylene carbonate 289.18
    cyrene 263.56
    2-ethoxyethyl acetate 375.52
    2-ethylhexyl acetate 409.2
    1,2,4-trichlorobenzene 484.02
    4-methylpyridine 649.53
    dibutyl ether 290.05
    2,6-dimethyl-4-heptanol 163.88
    DEF 360.72
    dimethyl isosorbide 558.33
    tetrachloroethylene 545.8
    eugenol 259.75
    triacetin 246.04
    span 80 249.03
    1,4-butanediol 71.68
    1,1-dichloroethane 598.05
    2-methyl-1-pentanol 204.32
    methyl formate 146.75
    2-methyl-1-butanol 206.01
    n-decane 51.48
    butyronitrile 337.15
    3,7-dimethyl-1-octanol 174.83
    1-chlorooctane 164.06
    1-chlorotetradecane 79.43
    n-nonane 50.04
    undecane 39.42
    tert-butylcyclohexane 82.7
    cyclooctane 81.59
    cyclopentanol 238.43
    tetrahydropyran 833.3
    tert-amyl methyl ether 300.75
    2,5,8-trioxanonane 543.47
    1-hexene 244.06
    2-isopropoxyethanol 229.54
    2,2,2-trifluoroethanol 82.13
    methyl butyrate 274.45

    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