Thiophene, 3-methoxy-2,5-dimethyl-

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  • Identifiers

    CAS number
    57556-08-8

    Molecular formula
    C7H10OS

    SMILES
    CC1=CC(=C(S1)C)OC

    Safety labels

  • Odor profile

    Fragrance
    Roasted 66.18%
    Meaty 55.29%
    Nutty 53.26%
    Burnt 48.6%
    Earthy 44.38%
    Coffee 43.62%
    Green 39.55%
    Sulfurous 38.09%
    Sweet 36.68%
    Vegetable 35.97%

     

    Flavor
    Roasted 56.97%
    Nutty 53.85%
    Burnt 46.44%
    Earthy 44.22%
    Coffee 41.9%
    Meaty 38.88%
    Musty 38.03%
    Cocoa 33.14%
    Potato 32.68%
    Roast 32.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.21 (neutral)

    Molecular weight
    142.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    199°C

    Flash point

    • 47.23 ˚C est.

  • Synonyms

    • Thiophene, 3-methoxy-2,5-dimethyl-
    • 3-methoxy-2,5-dimethylthiophene
    • 57556-08-8
    • Thiophene,3-methoxy-2,5-dimethyl-
    • SCHEMBL12858754
    • DTXSID20206183
    • 57556-08-8

  • Applications

    Thiophene, 3-methoxy-2,5-dimethyl- is a versatile building block and intermediate used in the synthesis of organic compounds across several industries. In electronics and polymer science, substituted thiophenes are employed as monomers or precursors for conducting polymers and functional devices. In coatings and inks, it can serve as a reactive building block for specialty polymers and functional coatings. In fragrance and cosmetics, substituted thiophenes are evaluated as odorants or fragrance ingredients and may be incorporated into scent formulations. In pharmaceuticals and agrochemicals, it often serves as an intermediate in the synthesis of more complex molecules. It also finds use in research and development settings as a flexible precursor for conjugated materials and advanced organic electronics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2201.87
    methanol 2403.77
    isopropanol 1694.46
    water 80.42
    ethyl acetate 1942.84
    n-propanol 1780.57
    acetone 2099.34
    n-butanol 1710.27
    acetonitrile 2269.25
    DMF 1865.07
    toluene 1443.68
    isobutanol 1298.94
    1,4-dioxane 3796.27
    methyl acetate 1686.96
    THF 3657.84
    2-butanone 1582.76
    n-pentanol 1226.92
    sec-butanol 1513.88
    n-hexane 555.07
    ethylene glycol 869.39
    NMP 1505.07
    cyclohexane 816.36
    DMSO 1404.19
    n-butyl acetate 1053.96
    n-octanol 796.83
    chloroform 5690.52
    n-propyl acetate 1047.68
    acetic acid 1965.87
    dichloromethane 4604.16
    cyclohexanone 2145.79
    propylene glycol 826.33
    isopropyl acetate 1206.8
    DMAc 1149.67
    2-ethoxyethanol 2222.17
    isopentanol 1309.02
    n-heptane 472.95
    ethyl formate 1272.09
    1,2-dichloroethane 2458.53
    n-hexanol 1426.49
    2-methoxyethanol 3164.29
    isobutyl acetate 710.15
    tetrachloromethane 1945.47
    n-pentyl acetate 834.81
    transcutol 2345.27
    n-heptanol 734.87
    ethylbenzene 698.72
    MIBK 1059.3
    2-propoxyethanol 2347.16
    tert-butanol 2021.05
    MTBE 1847.66
    2-butoxyethanol 1189.54
    propionic acid 1252.5
    o-xylene 841.95
    formic acid 1008.88
    diethyl ether 2617.66
    m-xylene 1084.48
    p-xylene 814.44
    chlorobenzene 1530.64
    dimethyl carbonate 795.64
    n-octane 220.44
    formamide 1105.81
    cyclopentanone 2127.01
    2-pentanone 1582.77
    anisole 1400.17
    cyclopentyl methyl ether 2263.28
    gamma-butyrolactone 2216.71
    1-methoxy-2-propanol 2184.18
    pyridine 2014.82
    3-pentanone 1167.84
    furfural 2024.72
    n-dodecane 150.67
    diethylene glycol 1793.43
    diisopropyl ether 959.17
    tert-amyl alcohol 1566.43
    acetylacetone 1568.51
    n-hexadecane 169.62
    acetophenone 954.01
    methyl propionate 1349.91
    isopentyl acetate 875.82
    trichloroethylene 4307.39
    n-nonanol 659.5
    cyclohexanol 1754.94
    benzyl alcohol 1036.79
    2-ethylhexanol 815.46
    isooctanol 584.74
    dipropyl ether 1127.84
    1,2-dichlorobenzene 1348.52
    ethyl lactate 545.01
    propylene carbonate 1286.84
    n-methylformamide 1391.52
    2-pentanol 1337.11
    n-pentane 599.37
    1-propoxy-2-propanol 1371.97
    1-methoxy-2-propyl acetate 1067.99
    2-(2-methoxypropoxy) propanol 722.49
    mesitylene 759.88
    ε-caprolactone 1758.32
    p-cymene 451.12
    epichlorohydrin 3027.79
    1,1,1-trichloroethane 3211.4
    2-aminoethanol 1194.87
    morpholine-4-carbaldehyde 2255.4
    sulfolane 1942.66
    2,2,4-trimethylpentane 309.43
    2-methyltetrahydrofuran 2740.47
    n-hexyl acetate 1171.59
    isooctane 284.65
    2-(2-butoxyethoxy)ethanol 1086.13
    sec-butyl acetate 762.93
    tert-butyl acetate 1373.93
    decalin 368.82
    glycerin 1208.09
    diglyme 2037.45
    acrylic acid 1076.43
    isopropyl myristate 459.06
    n-butyric acid 1700.98
    acetyl acetate 1247.76
    di(2-ethylhexyl) phthalate 350.37
    ethyl propionate 969.57
    nitromethane 2677.6
    1,2-diethoxyethane 1193.07
    benzonitrile 1189.02
    trioctyl phosphate 307.12
    1-bromopropane 1735.31
    gamma-valerolactone 2736.81
    n-decanol 475.37
    triethyl phosphate 426.77
    4-methyl-2-pentanol 803.81
    propionitrile 1546.75
    vinylene carbonate 1340.13
    1,1,2-trichlorotrifluoroethane 1947.0
    DMS 744.92
    cumene 508.9
    2-octanol 588.43
    2-hexanone 1010.66
    octyl acetate 574.02
    limonene 678.99
    1,2-dimethoxyethane 2578.24
    ethyl orthosilicate 453.22
    tributyl phosphate 339.22
    diacetone alcohol 1252.89
    N,N-dimethylaniline 846.72
    acrylonitrile 1643.83
    aniline 1337.18
    1,3-propanediol 1780.87
    bromobenzene 1622.68
    dibromomethane 3203.17
    1,1,2,2-tetrachloroethane 3151.88
    2-methyl-cyclohexyl acetate 663.16
    tetrabutyl urea 396.91
    diisobutyl methanol 482.65
    2-phenylethanol 1002.54
    styrene 889.43
    dioctyl adipate 516.14
    dimethyl sulfate 960.33
    ethyl butyrate 822.76
    methyl lactate 741.93
    butyl lactate 516.35
    diethyl carbonate 574.67
    propanediol butyl ether 871.24
    triethyl orthoformate 618.91
    p-tert-butyltoluene 492.27
    methyl 4-tert-butylbenzoate 814.7
    morpholine 3245.71
    tert-butylamine 1383.23
    n-dodecanol 374.24
    dimethoxymethane 2208.28
    ethylene carbonate 1219.7
    cyrene 817.25
    2-ethoxyethyl acetate 1004.82
    2-ethylhexyl acetate 746.01
    1,2,4-trichlorobenzene 1406.75
    4-methylpyridine 1970.5
    dibutyl ether 802.71
    2,6-dimethyl-4-heptanol 482.65
    DEF 1378.74
    dimethyl isosorbide 1161.32
    tetrachloroethylene 2585.56
    eugenol 785.94
    triacetin 744.23
    span 80 699.48
    1,4-butanediol 886.62
    1,1-dichloroethane 2933.35
    2-methyl-1-pentanol 980.71
    methyl formate 1273.47
    2-methyl-1-butanol 1278.89
    n-decane 253.53
    butyronitrile 1708.59
    3,7-dimethyl-1-octanol 627.71
    1-chlorooctane 668.7
    1-chlorotetradecane 284.44
    n-nonane 279.62
    undecane 186.57
    tert-butylcyclohexane 359.52
    cyclooctane 431.17
    cyclopentanol 1597.02
    tetrahydropyran 2939.22
    tert-amyl methyl ether 1445.36
    2,5,8-trioxanonane 1242.23
    1-hexene 997.52
    2-isopropoxyethanol 1522.49
    2,2,2-trifluoroethanol 979.64
    methyl butyrate 1069.3

    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