2-Methoxythiophene

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  • Identifiers

    CAS number
    16839-97-7

    Molecular formula
    C5H6OS

    SMILES
    COC1=CC=CS1

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sulfurous 59.63%
    Coffee 47.41%
    Alliaceous 47.26%
    Burnt 46.84%
    Onion 44.57%
    Roasted 43.04%
    Pungent 42.09%
    Ethereal 40.35%
    Meaty 35.71%
    Nutty 35.64%

     

    Flavor
    Sweet 66.2%
    Green 47.91%
    Nutty 41.6%
    Coffee 37.59%
    Earthy 36.35%
    Ethereal 31.95%
    Roasted 27.59%
    Burnt 25.96%
    Vegetable 25.86%
    Chocolate 23.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.67 (neutral)

    Molecular weight
    114.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    156°C

    Flash point

    • 32.58 ˚C est.

  • Synonyms

    • 2-Methoxythiophene
    • 16839-97-7
    • Thiophene, 2-methoxy-
    • EINECS 240-863-2
    • DTXSID60168559
    • RefChem:87950
    • DTXCID1091050
    • 240-863-2
    • InChI=1/C5H6OS/c1-6-5-3-2-4-7-5/h2-4H,1H
    • OKEHURCMYKPVFW-UHFFFAOYSA-N
    • 130410-20-7
    • 2-methoxy-thiophene
    • MFCD00014526
    • 2-methoxy thiophene
    • 2-Methoxythiophene #
    • 2-(methyloxy)thiophene
    • 2-Methoxythiophene, 97%
    • SCHEMBL73652
    • SCHEMBL247102
    • SCHEMBL383629
    • SCHEMBL386542
    • SCHEMBL446523
    • CHEBI:229346
    • GEO-01729
    • AKOS000278796
    • AC-4909
    • CS-W001141
    • DS-16448
    • DB-050479
    • M1030
    • NS00025525
    • EN300-104954
    • F14921
    • 839M977
    • F013626
    • Q22083606
    • 16839-97-7

  • Applications

    2-Methoxythiophene (16839-97-7) is primarily used as a building block in organic synthesis and as an intermediate for thiophene-based compounds. It is commonly employed as a precursor for pharmaceutical and agrochemical intermediates, and as a monomer or coupling partner in the development of thiophene-containing polymers for electronic and optoelectronic materials. It may also find use in coatings, inks, and dye systems as a reactive thiophene building block, and in fragrance research as a potential aroma-active constituent. Its specific applications and limitations depend on local regulations and formulation conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 405.12
    methanol 460.68
    isopropanol 280.35
    water 6.67
    ethyl acetate 431.22
    n-propanol 320.14
    acetone 440.08
    n-butanol 322.72
    acetonitrile 433.3
    DMF 593.29
    toluene 307.74
    isobutanol 231.35
    1,4-dioxane 1036.31
    methyl acetate 418.82
    THF 915.03
    2-butanone 386.85
    n-pentanol 272.8
    sec-butanol 276.11
    n-hexane 54.79
    ethylene glycol 143.06
    NMP 489.34
    cyclohexane 107.53
    DMSO 667.79
    n-butyl acetate 279.26
    n-octanol 118.71
    chloroform 1203.51
    n-propyl acetate 276.47
    acetic acid 462.1
    dichloromethane 1155.39
    cyclohexanone 487.92
    propylene glycol 127.63
    isopropyl acetate 246.62
    DMAc 471.42
    2-ethoxyethanol 646.18
    isopentanol 282.19
    n-heptane 63.81
    ethyl formate 312.25
    1,2-dichloroethane 618.7
    n-hexanol 225.29
    2-methoxyethanol 845.64
    isobutyl acetate 178.64
    tetrachloromethane 324.32
    n-pentyl acetate 172.5
    transcutol 1173.93
    n-heptanol 116.93
    ethylbenzene 132.19
    MIBK 242.87
    2-propoxyethanol 473.57
    tert-butanol 403.01
    MTBE 397.12
    2-butoxyethanol 249.05
    propionic acid 257.75
    o-xylene 178.85
    formic acid 257.06
    diethyl ether 519.17
    m-xylene 181.86
    p-xylene 156.67
    chlorobenzene 364.35
    dimethyl carbonate 176.39
    n-octane 26.03
    formamide 388.24
    cyclopentanone 498.44
    2-pentanone 353.94
    anisole 398.18
    cyclopentyl methyl ether 446.01
    gamma-butyrolactone 542.47
    1-methoxy-2-propanol 515.9
    pyridine 642.35
    3-pentanone 279.19
    furfural 716.6
    n-dodecane 21.21
    diethylene glycol 400.93
    diisopropyl ether 170.8
    tert-amyl alcohol 330.61
    acetylacetone 439.49
    n-hexadecane 24.23
    acetophenone 299.33
    methyl propionate 312.29
    isopentyl acetate 234.24
    trichloroethylene 1067.87
    n-nonanol 113.81
    cyclohexanol 311.04
    benzyl alcohol 276.98
    2-ethylhexanol 162.75
    isooctanol 107.07
    dipropyl ether 269.92
    1,2-dichlorobenzene 325.57
    ethyl lactate 131.36
    propylene carbonate 308.67
    n-methylformamide 397.11
    2-pentanol 248.05
    n-pentane 69.15
    1-propoxy-2-propanol 325.07
    1-methoxy-2-propyl acetate 317.36
    2-(2-methoxypropoxy) propanol 299.35
    mesitylene 127.53
    ε-caprolactone 436.09
    p-cymene 104.35
    epichlorohydrin 852.85
    1,1,1-trichloroethane 699.04
    2-aminoethanol 241.76
    morpholine-4-carbaldehyde 875.23
    sulfolane 561.12
    2,2,4-trimethylpentane 44.04
    2-methyltetrahydrofuran 697.82
    n-hexyl acetate 206.84
    isooctane 35.87
    2-(2-butoxyethoxy)ethanol 387.04
    sec-butyl acetate 194.63
    tert-butyl acetate 316.95
    decalin 54.06
    glycerin 227.35
    diglyme 791.03
    acrylic acid 257.38
    isopropyl myristate 117.96
    n-butyric acid 368.92
    acetyl acetate 299.05
    di(2-ethylhexyl) phthalate 101.93
    ethyl propionate 231.12
    nitromethane 742.95
    1,2-diethoxyethane 510.45
    benzonitrile 335.45
    trioctyl phosphate 71.06
    1-bromopropane 380.21
    gamma-valerolactone 807.07
    n-decanol 88.91
    triethyl phosphate 136.83
    4-methyl-2-pentanol 145.24
    propionitrile 336.58
    vinylene carbonate 324.0
    1,1,2-trichlorotrifluoroethane 579.67
    DMS 206.19
    cumene 99.12
    2-octanol 88.39
    2-hexanone 270.19
    octyl acetate 128.86
    limonene 152.12
    1,2-dimethoxyethane 852.1
    ethyl orthosilicate 143.89
    tributyl phosphate 93.05
    diacetone alcohol 336.47
    N,N-dimethylaniline 257.58
    acrylonitrile 394.49
    aniline 360.2
    1,3-propanediol 360.49
    bromobenzene 371.17
    dibromomethane 730.64
    1,1,2,2-tetrachloroethane 740.3
    2-methyl-cyclohexyl acetate 190.33
    tetrabutyl urea 127.69
    diisobutyl methanol 119.06
    2-phenylethanol 233.65
    styrene 198.26
    dioctyl adipate 161.02
    dimethyl sulfate 248.89
    ethyl butyrate 238.4
    methyl lactate 169.44
    butyl lactate 122.28
    diethyl carbonate 170.05
    propanediol butyl ether 184.04
    triethyl orthoformate 196.14
    p-tert-butyltoluene 107.63
    methyl 4-tert-butylbenzoate 238.65
    morpholine 970.74
    tert-butylamine 276.03
    n-dodecanol 75.75
    dimethoxymethane 605.59
    ethylene carbonate 276.79
    cyrene 303.35
    2-ethoxyethyl acetate 293.89
    2-ethylhexyl acetate 205.21
    1,2,4-trichlorobenzene 380.21
    4-methylpyridine 549.6
    dibutyl ether 197.73
    2,6-dimethyl-4-heptanol 119.06
    DEF 453.61
    dimethyl isosorbide 501.93
    tetrachloroethylene 547.21
    eugenol 250.82
    triacetin 238.28
    span 80 209.22
    1,4-butanediol 174.76
    1,1-dichloroethane 639.12
    2-methyl-1-pentanol 245.33
    methyl formate 296.79
    2-methyl-1-butanol 262.19
    n-decane 33.51
    butyronitrile 354.05
    3,7-dimethyl-1-octanol 139.66
    1-chlorooctane 106.55
    1-chlorotetradecane 53.95
    n-nonane 32.82
    undecane 25.54
    tert-butylcyclohexane 51.44
    cyclooctane 45.85
    cyclopentanol 298.38
    tetrahydropyran 700.81
    tert-amyl methyl ether 319.01
    2,5,8-trioxanonane 610.13
    1-hexene 139.74
    2-isopropoxyethanol 428.44
    2,2,2-trifluoroethanol 222.6
    methyl butyrate 285.7

    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