1-Methoxy-4-(methylthio)benzene

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  • Identifiers

    CAS number
    1879-16-9

    Molecular formula
    C8H10OS

    SMILES
    COC1=CC=C(C=C1)SC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 61.28%
    Meaty 58.15%
    Spicy 57.93%
    Roasted 55.81%
    Smoky 54.68%
    Phenolic 51.52%
    Sweet 50.18%
    Burnt 48.46%
    Coffee 47.33%
    Onion 40.07%

     

    Flavor
    Spicy 53.49%
    Sulfurous 49.35%
    Sweet 43.7%
    Meaty 43.39%
    Onion 35.11%
    Phenolic 34.92%
    Roasted 33.88%
    Floral 32.95%
    Woody 32.71%
    Smoky 29.93%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.14 (neutral)

    Molecular weight
    154.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    246°C

    Flash point

    • 96.99 ˚C est.

  • Synonyms

    • 1879-16-9
    • 1-Methoxy-4-(methylthio)benzene
    • MMTB
    • DTXSID40172114
    • RefChem:76162
    • DTXCID0094605
    • 627-502-8
    • 4-Methoxythioanisole
    • Benzene, 1-methoxy-4-(methylthio)-
    • 4-(Methylthio)anisole
    • (4-methoxyphenyl)(methyl)sulfane
    • 1-methoxy-4-methylsulfanylbenzene
    • 1-Methoxy-4-methylthiobenzene
    • Methyl 4-methoxyphenyl sulfide
    • 1-Methoxy-4-(methylsulfanyl)benzene
    • Anisole, p-(methylthio)-
    • p-(Methylthio)anisole
    • p-Anisyl methyl sulfide
    • p-Methoxyphenyl methyl sulfide
    • MFCD00010587
    • Methyl p-methoxyphenyl sulfide
    • NSC 124839
    • 4-Methoxy thioanisole
    • Methyl p-anisyl sulfide
    • 4-Methoxythiophenol, S-methyl-
    • 4-Methoxythioanisole, 97%
    • 4-methoxy-1-methylthiobenzene
    • SCHEMBL1145982
    • SCHEMBL1145983
    • SCHEMBL1146090
    • SCHEMBL7688798
    • SCHEMBL16958905
    • NSC124839
    • AKOS006220697
    • 1-Methoxy-4-(methylsulfanyl)benzene #
    • NSC-124839
    • AC-16436
    • LS-13426
    • SY050292
    • CS-0019062
    • M1852
    • ST51041423
    • D91543
    • F003888
    • InChI=1/C8H10OS/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H
    • 1879-16-9

  • Applications

    Chemical name: 1-Methoxy-4-(methylthio)benzene; CAS number: 1879-16-9. It may be used as an odorant and fragrance-building block in perfumery. It may be evaluated as a fragrance ingredient in cosmetics/personal care. It serves as an intermediate in industrial manufacturing for the synthesis of specialty chemicals, including dye and polymer precursors. It can act as a precursor for sulfur-containing aryl compounds in coatings and inks formulations. It may serve as a building block in polymer chemistry for functional aryl thioether derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1301.06
    methanol 1222.95
    isopropanol 680.75
    water 4.23
    ethyl acetate 2973.55
    n-propanol 1015.71
    acetone 1657.77
    n-butanol 961.53
    acetonitrile 1975.44
    DMF 1260.35
    toluene 1239.18
    isobutanol 614.34
    1,4-dioxane 6912.88
    methyl acetate 1905.79
    THF 3470.61
    2-butanone 1524.1
    n-pentanol 592.01
    sec-butanol 659.59
    n-hexane 119.2
    ethylene glycol 330.8
    NMP 994.29
    cyclohexane 666.67
    DMSO 1636.15
    n-butyl acetate 979.13
    n-octanol 159.6
    chloroform 6178.01
    n-propyl acetate 1015.19
    acetic acid 2041.3
    dichloromethane 6232.4
    cyclohexanone 2017.38
    propylene glycol 285.39
    isopropyl acetate 1051.38
    DMAc 1088.4
    2-ethoxyethanol 1481.82
    isopentanol 676.77
    n-heptane 109.0
    ethyl formate 1392.14
    1,2-dichloroethane 4180.83
    n-hexanol 495.16
    2-methoxyethanol 2335.84
    isobutyl acetate 502.08
    tetrachloromethane 1144.08
    n-pentyl acetate 384.67
    transcutol 3904.74
    n-heptanol 191.8
    ethylbenzene 320.36
    MIBK 465.22
    2-propoxyethanol 1039.98
    tert-butanol 915.96
    MTBE 1316.68
    2-butoxyethanol 483.87
    propionic acid 922.06
    o-xylene 447.32
    formic acid 863.1
    diethyl ether 3031.08
    m-xylene 432.82
    p-xylene 393.25
    chlorobenzene 1622.78
    dimethyl carbonate 657.15
    n-octane 28.77
    formamide 1639.66
    cyclopentanone 1516.92
    2-pentanone 1130.86
    anisole 1081.32
    cyclopentyl methyl ether 1565.09
    gamma-butyrolactone 1978.97
    1-methoxy-2-propanol 1031.48
    pyridine 3723.95
    3-pentanone 1085.44
    furfural 2207.23
    n-dodecane 20.51
    diethylene glycol 945.57
    diisopropyl ether 467.49
    tert-amyl alcohol 712.64
    acetylacetone 1364.41
    n-hexadecane 24.36
    acetophenone 711.68
    methyl propionate 1364.71
    isopentyl acetate 707.42
    trichloroethylene 7005.23
    n-nonanol 152.07
    cyclohexanol 1013.93
    benzyl alcohol 644.8
    2-ethylhexanol 289.06
    isooctanol 153.0
    dipropyl ether 707.11
    1,2-dichlorobenzene 1306.74
    ethyl lactate 287.83
    propylene carbonate 1101.58
    n-methylformamide 1098.0
    2-pentanol 519.8
    n-pentane 175.76
    1-propoxy-2-propanol 601.9
    1-methoxy-2-propyl acetate 992.52
    2-(2-methoxypropoxy) propanol 491.02
    mesitylene 246.5
    ε-caprolactone 1764.06
    p-cymene 174.17
    epichlorohydrin 3467.71
    1,1,1-trichloroethane 3388.32
    2-aminoethanol 633.22
    morpholine-4-carbaldehyde 2473.81
    sulfolane 1527.02
    2,2,4-trimethylpentane 63.59
    2-methyltetrahydrofuran 2720.71
    n-hexyl acetate 435.58
    isooctane 45.62
    2-(2-butoxyethoxy)ethanol 733.37
    sec-butyl acetate 625.87
    tert-butyl acetate 989.21
    decalin 119.99
    glycerin 463.54
    diglyme 2046.19
    acrylic acid 867.24
    isopropyl myristate 186.62
    n-butyric acid 1482.9
    acetyl acetate 1919.61
    di(2-ethylhexyl) phthalate 171.09
    ethyl propionate 875.89
    nitromethane 3562.54
    1,2-diethoxyethane 1711.82
    benzonitrile 964.08
    trioctyl phosphate 105.63
    1-bromopropane 1727.49
    gamma-valerolactone 2649.46
    n-decanol 109.88
    triethyl phosphate 360.48
    4-methyl-2-pentanol 230.28
    propionitrile 1171.44
    vinylene carbonate 1321.61
    1,1,2-trichlorotrifluoroethane 2053.29
    DMS 667.03
    cumene 160.45
    2-octanol 107.97
    2-hexanone 675.75
    octyl acetate 227.98
    limonene 305.25
    1,2-dimethoxyethane 2608.44
    ethyl orthosilicate 372.96
    tributyl phosphate 170.35
    diacetone alcohol 636.13
    N,N-dimethylaniline 438.54
    acrylonitrile 1318.81
    aniline 1356.43
    1,3-propanediol 987.29
    bromobenzene 1858.19
    dibromomethane 3653.27
    1,1,2,2-tetrachloroethane 4623.83
    2-methyl-cyclohexyl acetate 474.3
    tetrabutyl urea 191.63
    diisobutyl methanol 177.2
    2-phenylethanol 551.06
    styrene 589.5
    dioctyl adipate 316.07
    dimethyl sulfate 714.63
    ethyl butyrate 796.08
    methyl lactate 388.56
    butyl lactate 231.02
    diethyl carbonate 629.7
    propanediol butyl ether 300.13
    triethyl orthoformate 635.6
    p-tert-butyltoluene 170.11
    methyl 4-tert-butylbenzoate 384.65
    morpholine 5408.76
    tert-butylamine 622.6
    n-dodecanol 86.42
    dimethoxymethane 1654.61
    ethylene carbonate 1234.06
    cyrene 474.73
    2-ethoxyethyl acetate 860.0
    2-ethylhexyl acetate 594.64
    1,2,4-trichlorobenzene 1511.26
    4-methylpyridine 2261.62
    dibutyl ether 417.53
    2,6-dimethyl-4-heptanol 177.2
    DEF 1378.59
    dimethyl isosorbide 911.42
    tetrachloroethylene 3597.37
    eugenol 393.55
    triacetin 597.83
    span 80 377.55
    1,4-butanediol 292.74
    1,1-dichloroethane 2953.66
    2-methyl-1-pentanol 479.22
    methyl formate 976.66
    2-methyl-1-butanol 649.33
    n-decane 36.43
    butyronitrile 1228.67
    3,7-dimethyl-1-octanol 178.55
    1-chlorooctane 165.91
    1-chlorotetradecane 64.4
    n-nonane 35.63
    undecane 25.64
    tert-butylcyclohexane 81.6
    cyclooctane 150.06
    cyclopentanol 751.31
    tetrahydropyran 4515.63
    tert-amyl methyl ether 835.13
    2,5,8-trioxanonane 1254.45
    1-hexene 360.0
    2-isopropoxyethanol 768.1
    2,2,2-trifluoroethanol 715.14
    methyl butyrate 1012.46

    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