3-Methoxythiophene

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  • Identifiers

    CAS number
    17573-92-1

    Molecular formula
    C5H6OS

    SMILES
    COC1=CSC=C1

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sweet 51.3%
    Coffee 47.39%
    Roasted 46.64%
    Sulfurous 45.77%
    Burnt 45.36%
    Nutty 45.27%
    Ethereal 43.03%
    Spicy 38.47%
    Alliaceous 36.39%
    Meaty 35.64%

     

    Flavor
    Sweet 67.79%
    Nutty 47.36%
    Green 43.2%
    Earthy 37.67%
    Fruity 37.56%
    Coffee 34.88%
    Ethereal 30.69%
    Musty 26.69%
    Caramel 25.16%
    Chocolate 24.8%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    5.9 (weak acid)

    Molecular weight
    114.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    163°C

    Flash point

    • 30.21 ˚C est.

  • Synonyms

    • 3-Methoxythiophene
    • 17573-92-1
    • Thiophene, 3-methoxy-
    • DTXSID40170014
    • RefChem:94669
    • DTXCID3092505
    • 479-350-5
    • InChI=1/C5H6OS/c1-6-5-2-3-7-4-5/h2-4H,1H
    • RFSKGCVUDQRZSD-UHFFFAOYSA-N
    • MFCD00043894
    • 3-methoxy-thiophene
    • 3-Methoxythiophene #
    • 3-Methoxythiophene, 98%
    • BIDD:GT0411
    • SCHEMBL181787
    • SCHEMBL266238
    • SCHEMBL277645
    • SCHEMBL316052
    • SCHEMBL448491
    • SCHEMBL1145653
    • SCHEMBL6013060
    • GEO-01730
    • AKOS005255184
    • AC-4908
    • CS-W008023
    • AS-38007
    • DB-044232
    • M1093
    • EN300-111850
    • 573M921
    • A812110
    • F013627
    • 96299-24-0
    • 17573-92-1

  • Applications

    3-Methoxythiophene (CAS 17573-92-1) is primarily used as a building block in the synthesis of thiophene-containing compounds and as an intermediate for conducting polymers derived from thiophene, with potential applications in organic electronics, sensors, and electrochromic devices; it also serves as a scaffold in the production of dyes and inks for coatings and printing, and as a synthetic intermediate in pharmaceutical and agrochemical development or other complex organic compounds; in practice, it is used as a research reagent to develop new materials and compounds in industrial R&D.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 734.94
    methanol 767.37
    isopropanol 472.06
    water 17.64
    ethyl acetate 558.0
    n-propanol 525.28
    acetone 588.88
    n-butanol 479.77
    acetonitrile 595.66
    DMF 554.26
    toluene 380.06
    isobutanol 361.2
    1,4-dioxane 1267.05
    methyl acetate 556.76
    THF 1130.53
    2-butanone 482.37
    n-pentanol 403.1
    sec-butanol 400.07
    n-hexane 91.5
    ethylene glycol 261.15
    NMP 520.89
    cyclohexane 169.18
    DMSO 673.12
    n-butyl acetate 307.06
    n-octanol 164.74
    chloroform 1411.22
    n-propyl acetate 291.04
    acetic acid 710.45
    dichloromethane 1304.27
    cyclohexanone 536.48
    propylene glycol 215.94
    isopropyl acetate 265.0
    DMAc 508.81
    2-ethoxyethanol 757.56
    isopentanol 361.98
    n-heptane 102.21
    ethyl formate 348.97
    1,2-dichloroethane 701.09
    n-hexanol 343.21
    2-methoxyethanol 990.65
    isobutyl acetate 182.96
    tetrachloromethane 359.4
    n-pentyl acetate 177.82
    transcutol 1300.41
    n-heptanol 158.81
    ethylbenzene 124.76
    MIBK 236.31
    2-propoxyethanol 627.28
    tert-butanol 494.91
    MTBE 447.65
    2-butoxyethanol 310.85
    propionic acid 396.57
    o-xylene 192.31
    formic acid 400.74
    diethyl ether 704.6
    m-xylene 203.35
    p-xylene 144.83
    chlorobenzene 363.29
    dimethyl carbonate 186.48
    n-octane 35.06
    formamide 469.36
    cyclopentanone 538.17
    2-pentanone 417.9
    anisole 360.82
    cyclopentyl methyl ether 571.96
    gamma-butyrolactone 564.63
    1-methoxy-2-propanol 587.04
    pyridine 697.96
    3-pentanone 339.98
    furfural 632.41
    n-dodecane 26.51
    diethylene glycol 557.56
    diisopropyl ether 190.79
    tert-amyl alcohol 395.68
    acetylacetone 420.35
    n-hexadecane 29.68
    acetophenone 258.93
    methyl propionate 396.62
    isopentyl acetate 224.56
    trichloroethylene 1075.25
    n-nonanol 148.74
    cyclohexanol 435.12
    benzyl alcohol 291.25
    2-ethylhexanol 212.37
    isooctanol 132.85
    dipropyl ether 339.04
    1,2-dichlorobenzene 284.88
    ethyl lactate 138.21
    propylene carbonate 287.6
    n-methylformamide 423.48
    2-pentanol 334.02
    n-pentane 123.75
    1-propoxy-2-propanol 414.31
    1-methoxy-2-propyl acetate 314.55
    2-(2-methoxypropoxy) propanol 302.72
    mesitylene 125.5
    ε-caprolactone 465.64
    p-cymene 107.41
    epichlorohydrin 859.92
    1,1,1-trichloroethane 694.37
    2-aminoethanol 398.07
    morpholine-4-carbaldehyde 835.83
    sulfolane 499.36
    2,2,4-trimethylpentane 54.75
    2-methyltetrahydrofuran 861.67
    n-hexyl acetate 211.27
    isooctane 44.07
    2-(2-butoxyethoxy)ethanol 415.54
    sec-butyl acetate 189.92
    tert-butyl acetate 274.71
    decalin 62.77
    glycerin 346.91
    diglyme 756.58
    acrylic acid 373.01
    isopropyl myristate 109.25
    n-butyric acid 465.8
    acetyl acetate 312.83
    di(2-ethylhexyl) phthalate 100.6
    ethyl propionate 235.08
    nitromethane 841.07
    1,2-diethoxyethane 536.25
    benzonitrile 297.26
    trioctyl phosphate 70.61
    1-bromopropane 473.43
    gamma-valerolactone 761.99
    n-decanol 113.63
    triethyl phosphate 119.44
    4-methyl-2-pentanol 174.38
    propionitrile 394.53
    vinylene carbonate 295.59
    1,1,2-trichlorotrifluoroethane 577.29
    DMS 182.46
    cumene 92.83
    2-octanol 107.82
    2-hexanone 278.44
    octyl acetate 130.23
    limonene 168.58
    1,2-dimethoxyethane 865.16
    ethyl orthosilicate 128.44
    tributyl phosphate 88.08
    diacetone alcohol 311.81
    N,N-dimethylaniline 225.84
    acrylonitrile 416.86
    aniline 428.71
    1,3-propanediol 514.21
    bromobenzene 350.42
    dibromomethane 857.74
    1,1,2,2-tetrachloroethane 771.81
    2-methyl-cyclohexyl acetate 173.98
    tetrabutyl urea 116.11
    diisobutyl methanol 127.83
    2-phenylethanol 253.95
    styrene 184.17
    dioctyl adipate 148.84
    dimethyl sulfate 237.71
    ethyl butyrate 231.6
    methyl lactate 189.22
    butyl lactate 125.25
    diethyl carbonate 151.19
    propanediol butyl ether 222.8
    triethyl orthoformate 186.35
    p-tert-butyltoluene 106.04
    methyl 4-tert-butylbenzoate 210.09
    morpholine 1213.98
    tert-butylamine 336.71
    n-dodecanol 93.21
    dimethoxymethane 568.14
    ethylene carbonate 263.77
    cyrene 278.44
    2-ethoxyethyl acetate 291.83
    2-ethylhexyl acetate 196.92
    1,2,4-trichlorobenzene 340.0
    4-methylpyridine 569.7
    dibutyl ether 218.99
    2,6-dimethyl-4-heptanol 127.83
    DEF 479.12
    dimethyl isosorbide 420.89
    tetrachloroethylene 599.62
    eugenol 219.5
    triacetin 216.25
    span 80 225.41
    1,4-butanediol 260.13
    1,1-dichloroethane 756.3
    2-methyl-1-pentanol 311.98
    methyl formate 319.24
    2-methyl-1-butanol 355.52
    n-decane 44.7
    butyronitrile 427.31
    3,7-dimethyl-1-octanol 162.41
    1-chlorooctane 126.2
    1-chlorotetradecane 60.64
    n-nonane 45.84
    undecane 33.0
    tert-butylcyclohexane 58.46
    cyclooctane 64.29
    cyclopentanol 417.36
    tetrahydropyran 903.61
    tert-amyl methyl ether 355.9
    2,5,8-trioxanonane 569.88
    1-hexene 209.06
    2-isopropoxyethanol 497.67
    2,2,2-trifluoroethanol 301.28
    methyl butyrate 271.44

    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