2-(Methoxymethyl)thiophene

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  • Identifiers

    CAS number
    1487-28-1

    Molecular formula
    C6H8OS

    SMILES
    COCC1=CC=CS1

    Safety labels

  • Odor profile

    Fragrance
    Green 56.74%
    Fruity 47.54%
    Coffee 43.34%
    Roasted 40.17%
    Sulfurous 39.37%
    Burnt 39.22%
    Woody 38.88%
    Earthy 38.48%
    Nutty 37.4%
    Alliaceous 37.06%

     

    Flavor
    Coffee 54.0%
    Roasted 51.39%
    Nutty 40.14%
    Sulfury 36.58%
    Green 36.27%
    Vegetable 35.63%
    Sulfurous 33.31%
    Onion 33.04%
    Sulfur 32.02%
    Earthy 31.58%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    4.93 (weak acid)

    Molecular weight
    128.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    171°C

    Flash point

    • 40.68 ˚C est.

  • Synonyms

    • 2-(methoxymethyl)thiophene
    • 1487-28-1
    • DTXSID40437093
    • RefChem:254275
    • DTXCID30387917
    • 5-Methoxymethyl-thiophene
    • Thiophene, 2-(methoxymethyl)-
    • 2-methoxymethylthiophene
    • MFCD22054632
    • SCHEMBL318874
    • SCHEMBL862369
    • SCHEMBL1145747
    • SCHEMBL6331774
    • SCHEMBL10205398
    • SCHEMBL10317686
    • DB-329454
    • CS-0196397
    • E92127
    • EN300-7597129
    • 1487-28-1

  • Applications

    2-(Methoxymethyl)thiophene (CAS 1487-28-1) is primarily used as an organic synthesis intermediate for thiophene-containing compounds in the manufacture of pharmaceuticals and agrochemicals; it serves as a building block to access more complex thiophene derivatives. The methoxymethyl group allows protecting or directing subsequent functionalization, so the compound is commonly evaluated for fragrance/odorant synthesis in perfumery and cosmetic applications. In polymer and materials science, it can function as a precursor to thiophene-based monomers for conductive polymers or other thiophene-containing materials. It also serves as a specialty chemical feedstock for coatings and inks. Applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1158.62
    methanol 1240.18
    isopropanol 882.3
    water 37.68
    ethyl acetate 660.66
    n-propanol 873.23
    acetone 1075.17
    n-butanol 740.44
    acetonitrile 906.78
    DMF 1190.75
    toluene 440.12
    isobutanol 688.93
    1,4-dioxane 1204.25
    methyl acetate 764.5
    THF 1273.22
    2-butanone 750.07
    n-pentanol 504.53
    sec-butanol 746.17
    n-hexane 80.27
    ethylene glycol 613.71
    NMP 861.43
    cyclohexane 160.36
    DMSO 1153.27
    n-butyl acetate 426.5
    n-octanol 302.88
    chloroform 2282.24
    n-propyl acetate 461.42
    acetic acid 1363.67
    dichloromethane 1680.68
    cyclohexanone 882.87
    propylene glycol 686.07
    isopropyl acetate 381.45
    DMAc 782.87
    2-ethoxyethanol 954.52
    isopentanol 530.82
    n-heptane 119.14
    ethyl formate 524.6
    1,2-dichloroethane 970.18
    n-hexanol 554.05
    2-methoxyethanol 1397.34
    isobutyl acetate 335.17
    tetrachloromethane 522.47
    n-pentyl acetate 282.06
    transcutol 1319.83
    n-heptanol 297.66
    ethylbenzene 201.53
    MIBK 400.04
    2-propoxyethanol 897.93
    tert-butanol 929.68
    MTBE 556.71
    2-butoxyethanol 548.28
    propionic acid 777.09
    o-xylene 287.93
    formic acid 617.54
    diethyl ether 626.04
    m-xylene 305.21
    p-xylene 258.82
    chlorobenzene 557.09
    dimethyl carbonate 315.92
    n-octane 46.18
    formamide 650.22
    cyclopentanone 985.02
    2-pentanone 626.8
    anisole 501.04
    cyclopentyl methyl ether 656.04
    gamma-butyrolactone 947.07
    1-methoxy-2-propanol 962.73
    pyridine 898.24
    3-pentanone 475.82
    furfural 1024.93
    n-dodecane 41.54
    diethylene glycol 914.96
    diisopropyl ether 208.07
    tert-amyl alcohol 698.99
    acetylacetone 644.6
    n-hexadecane 46.28
    acetophenone 449.96
    methyl propionate 544.61
    isopentyl acetate 374.58
    trichloroethylene 1896.11
    n-nonanol 255.44
    cyclohexanol 688.53
    benzyl alcohol 469.41
    2-ethylhexanol 349.08
    isooctanol 254.22
    dipropyl ether 382.57
    1,2-dichlorobenzene 464.72
    ethyl lactate 315.01
    propylene carbonate 585.39
    n-methylformamide 770.29
    2-pentanol 516.92
    n-pentane 122.62
    1-propoxy-2-propanol 648.38
    1-methoxy-2-propyl acetate 457.24
    2-(2-methoxypropoxy) propanol 423.26
    mesitylene 195.02
    ε-caprolactone 699.83
    p-cymene 174.78
    epichlorohydrin 1168.69
    1,1,1-trichloroethane 1216.51
    2-aminoethanol 809.77
    morpholine-4-carbaldehyde 1035.71
    sulfolane 937.07
    2,2,4-trimethylpentane 81.9
    2-methyltetrahydrofuran 900.8
    n-hexyl acetate 403.71
    isooctane 68.45
    2-(2-butoxyethoxy)ethanol 559.54
    sec-butyl acetate 307.3
    tert-butyl acetate 429.36
    decalin 81.83
    glycerin 881.17
    diglyme 987.44
    acrylic acid 772.76
    isopropyl myristate 167.78
    n-butyric acid 818.05
    acetyl acetate 439.09
    di(2-ethylhexyl) phthalate 165.56
    ethyl propionate 351.94
    nitromethane 1392.28
    1,2-diethoxyethane 451.19
    benzonitrile 515.19
    trioctyl phosphate 128.63
    1-bromopropane 637.41
    gamma-valerolactone 1155.26
    n-decanol 197.42
    triethyl phosphate 188.73
    4-methyl-2-pentanol 292.1
    propionitrile 637.61
    vinylene carbonate 603.63
    1,1,2-trichlorotrifluoroethane 1178.83
    DMS 294.86
    cumene 160.24
    2-octanol 205.18
    2-hexanone 442.45
    octyl acetate 212.94
    limonene 269.42
    1,2-dimethoxyethane 982.6
    ethyl orthosilicate 191.81
    tributyl phosphate 144.85
    diacetone alcohol 583.01
    N,N-dimethylaniline 327.27
    acrylonitrile 778.36
    aniline 582.66
    1,3-propanediol 868.22
    bromobenzene 554.54
    dibromomethane 1174.58
    1,1,2,2-tetrachloroethane 1460.19
    2-methyl-cyclohexyl acetate 300.92
    tetrabutyl urea 188.79
    diisobutyl methanol 212.57
    2-phenylethanol 422.63
    styrene 268.28
    dioctyl adipate 224.32
    dimethyl sulfate 440.05
    ethyl butyrate 351.54
    methyl lactate 428.43
    butyl lactate 255.47
    diethyl carbonate 242.6
    propanediol butyl ether 524.75
    triethyl orthoformate 264.18
    p-tert-butyltoluene 178.86
    methyl 4-tert-butylbenzoate 364.5
    morpholine 1203.29
    tert-butylamine 598.07
    n-dodecanol 161.1
    dimethoxymethane 785.81
    ethylene carbonate 499.59
    cyrene 465.46
    2-ethoxyethyl acetate 381.9
    2-ethylhexyl acetate 297.61
    1,2,4-trichlorobenzene 600.87
    4-methylpyridine 785.2
    dibutyl ether 264.01
    2,6-dimethyl-4-heptanol 212.57
    DEF 613.94
    dimethyl isosorbide 537.71
    tetrachloroethylene 1008.42
    eugenol 395.09
    triacetin 394.26
    span 80 384.39
    1,4-butanediol 500.82
    1,1-dichloroethane 1262.54
    2-methyl-1-pentanol 407.77
    methyl formate 618.51
    2-methyl-1-butanol 562.12
    n-decane 63.82
    butyronitrile 629.34
    3,7-dimethyl-1-octanol 282.89
    1-chlorooctane 206.73
    1-chlorotetradecane 94.62
    n-nonane 64.54
    undecane 49.82
    tert-butylcyclohexane 89.58
    cyclooctane 68.48
    cyclopentanol 715.23
    tetrahydropyran 954.61
    tert-amyl methyl ether 418.89
    2,5,8-trioxanonane 644.68
    1-hexene 246.11
    2-isopropoxyethanol 669.76
    2,2,2-trifluoroethanol 595.72
    methyl butyrate 460.33

    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