3-Methoxybenzenethiol

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  • Identifiers

    CAS number
    15570-12-4

    Molecular formula
    C7H8OS

    SMILES
    COC1=CC(=CC=C1)S

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 67.2%
    Meaty 66.16%
    Phenolic 62.63%
    Roasted 57.03%
    Burnt 54.75%
    Smoky 48.81%
    Sweet 47.0%
    Coffee 41.34%
    Spicy 36.84%
    Woody 36.49%

     

    Flavor
    Phenolic 57.85%
    Meaty 35.31%
    Medicinal 35.24%
    Spicy 33.53%
    Smoky 33.3%
    Sweet 31.64%
    Woody 30.08%
    Nutty 30.04%
    Smoke 28.93%
    Fruity 28.53%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.26 (neutral)

    Molecular weight
    140.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    233°C

    Flash point

    • 78.51 ˚C est.

  • Synonyms

    • 3-Methoxybenzenethiol
    • 3-Methoxythiophenol
    • Benzenethiol, 3-methoxy-
    • m-Methoxythiophenol
    • m-methoxybenzenethiol
    • meta-Methoxybenzenethiol
    • GU3GP933SP
    • EINECS 239-617-7
    • m-Methoxy phenyl mercaptan
    • (M-METHOXYPHENYL)THIOL
    • BENZENETHIOL, M-METHOXY-
    • DTXSID3074652
    • QMVAZEHZOPDGHA-UHFFFAOYSA-
    • RefChem:94626
    • DTXCID2035011
    • 239-617-7
    • InChI=1/C7H8OS/c1-8-6-3-2-4-7(9)5-6/h2-5,9H,1H3
    • QMVAZEHZOPDGHA-UHFFFAOYSA-N
    • 15570-12-4
    • 3-Mercaptoanisole
    • 3-METHOXYBENZENE-1-THIOL
    • MFCD00004841
    • 3-Methoxy thiophenol
    • 3-methoxybenzenthiol
    • m-Methoxybenzenethiol; m-Methoxythiophenol
    • Benzenethiol, m-methoxy- (6CI,7CI,8CI)
    • 3-methoxy-thiophenol
    • 3-methoxy -thiophenol
    • 3-Methoxy-benzenethiol
    • 3-methyloxy-benzenethiol
    • UNII-GU3GP933SP
    • 3-Methoxythiophenol, 98%
    • SCHEMBL6767
    • SCHEMBL54706
    • CHEMBL122066
    • SCHEMBL6653157
    • SCHEMBL7496964
    • SCHEMBL10508562
    • SCHEMBL29878483
    • STR02060
    • AKOS005257798
    • PS-3033
    • BP-10733
    • SY001349
    • DB-043282
    • CS-0008476
    • M1194
    • NS00025057
    • EN300-26755
    • D78387
    • F001309
    • 15570-12-4

  • Applications

    3-Methoxybenzenethiol, CAS 15570-12-4, is an aryl thiol containing a sulfhydryl group used mainly as an aroma/flavor ingredient and as an intermediate in the synthesis of sulfur-containing fragrance compounds in the fragrance and flavor industry; it is also considered a useful intermediate for steps toward more complex fragrance materials. In the polymer and coatings sectors, it can serve as a building block to introduce thiol functionality into materials, enabling thioether formation or thiol-ene reactions to tailor crosslinking and surface properties. Additionally, it may be used in the development of specialty chemicals and as a precursor for other intermediates in organic synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 602.17
    methanol 575.49
    isopropanol 522.03
    water 15.21
    ethyl acetate 487.74
    n-propanol 504.73
    acetone 1058.2
    n-butanol 380.84
    acetonitrile 758.97
    DMF 1106.03
    toluene 174.78
    isobutanol 364.76
    1,4-dioxane 1160.01
    methyl acetate 708.68
    THF 962.69
    2-butanone 669.87
    n-pentanol 285.13
    sec-butanol 444.96
    n-hexane 59.07
    ethylene glycol 428.74
    NMP 642.74
    cyclohexane 67.76
    DMSO 1281.65
    n-butyl acetate 195.5
    n-octanol 163.12
    chloroform 1196.99
    n-propyl acetate 297.59
    acetic acid 610.97
    dichloromethane 1076.95
    cyclohexanone 580.32
    propylene glycol 435.82
    isopropyl acetate 240.37
    DMAc 735.13
    2-ethoxyethanol 641.71
    isopentanol 278.55
    n-heptane 46.5
    ethyl formate 330.7
    1,2-dichloroethane 645.49
    n-hexanol 261.05
    2-methoxyethanol 929.66
    isobutyl acetate 191.61
    tetrachloromethane 261.64
    n-pentyl acetate 161.25
    transcutol 857.76
    n-heptanol 145.83
    ethylbenzene 112.96
    MIBK 252.39
    2-propoxyethanol 510.12
    tert-butanol 581.59
    MTBE 431.7
    2-butoxyethanol 290.49
    propionic acid 495.55
    o-xylene 138.68
    formic acid 264.35
    diethyl ether 460.29
    m-xylene 136.38
    p-xylene 148.18
    chlorobenzene 252.3
    dimethyl carbonate 259.56
    n-octane 26.54
    formamide 413.04
    cyclopentanone 755.55
    2-pentanone 439.18
    anisole 342.32
    cyclopentyl methyl ether 393.31
    gamma-butyrolactone 747.52
    1-methoxy-2-propanol 653.86
    pyridine 470.21
    3-pentanone 364.74
    furfural 623.35
    n-dodecane 26.26
    diethylene glycol 606.16
    diisopropyl ether 133.68
    tert-amyl alcohol 439.92
    acetylacetone 536.11
    n-hexadecane 28.89
    acetophenone 272.29
    methyl propionate 422.98
    isopentyl acetate 176.84
    trichloroethylene 1108.06
    n-nonanol 143.49
    cyclohexanol 329.65
    benzyl alcohol 252.61
    2-ethylhexanol 144.57
    isooctanol 119.65
    dipropyl ether 193.11
    1,2-dichlorobenzene 231.33
    ethyl lactate 195.14
    propylene carbonate 362.47
    n-methylformamide 531.98
    2-pentanol 271.96
    n-pentane 57.35
    1-propoxy-2-propanol 310.67
    1-methoxy-2-propyl acetate 259.81
    2-(2-methoxypropoxy) propanol 263.71
    mesitylene 92.83
    ε-caprolactone 418.1
    p-cymene 75.06
    epichlorohydrin 868.94
    1,1,1-trichloroethane 719.69
    2-aminoethanol 475.34
    morpholine-4-carbaldehyde 780.21
    sulfolane 830.48
    2,2,4-trimethylpentane 37.1
    2-methyltetrahydrofuran 637.98
    n-hexyl acetate 240.73
    isooctane 30.93
    2-(2-butoxyethoxy)ethanol 357.22
    sec-butyl acetate 179.4
    tert-butyl acetate 272.19
    decalin 43.68
    glycerin 559.5
    diglyme 684.77
    acrylic acid 443.12
    isopropyl myristate 113.67
    n-butyric acid 412.68
    acetyl acetate 327.2
    di(2-ethylhexyl) phthalate 100.66
    ethyl propionate 242.39
    nitromethane 1087.81
    1,2-diethoxyethane 287.31
    benzonitrile 258.31
    trioctyl phosphate 85.67
    1-bromopropane 351.15
    gamma-valerolactone 785.16
    n-decanol 116.3
    triethyl phosphate 112.03
    4-methyl-2-pentanol 156.43
    propionitrile 408.08
    vinylene carbonate 360.45
    1,1,2-trichlorotrifluoroethane 682.85
    DMS 249.44
    cumene 88.47
    2-octanol 115.32
    2-hexanone 325.72
    octyl acetate 143.14
    limonene 107.02
    1,2-dimethoxyethane 839.09
    ethyl orthosilicate 107.13
    tributyl phosphate 94.53
    diacetone alcohol 364.14
    N,N-dimethylaniline 218.79
    acrylonitrile 527.39
    aniline 260.67
    1,3-propanediol 518.74
    bromobenzene 245.66
    dibromomethane 670.68
    1,1,2,2-tetrachloroethane 830.43
    2-methyl-cyclohexyl acetate 151.39
    tetrabutyl urea 119.42
    diisobutyl methanol 98.81
    2-phenylethanol 211.71
    styrene 147.24
    dioctyl adipate 153.89
    dimethyl sulfate 409.83
    ethyl butyrate 170.92
    methyl lactate 291.89
    butyl lactate 141.76
    diethyl carbonate 135.8
    propanediol butyl ether 288.92
    triethyl orthoformate 131.73
    p-tert-butyltoluene 78.61
    methyl 4-tert-butylbenzoate 214.83
    morpholine 954.59
    tert-butylamine 305.22
    n-dodecanol 97.21
    dimethoxymethane 635.88
    ethylene carbonate 297.49
    cyrene 297.34
    2-ethoxyethyl acetate 237.18
    2-ethylhexyl acetate 139.1
    1,2,4-trichlorobenzene 307.37
    4-methylpyridine 397.7
    dibutyl ether 163.52
    2,6-dimethyl-4-heptanol 98.81
    DEF 418.8
    dimethyl isosorbide 346.35
    tetrachloroethylene 540.98
    eugenol 238.95
    triacetin 265.87
    span 80 223.7
    1,4-butanediol 302.73
    1,1-dichloroethane 747.04
    2-methyl-1-pentanol 225.82
    methyl formate 474.1
    2-methyl-1-butanol 298.77
    n-decane 38.21
    butyronitrile 326.44
    3,7-dimethyl-1-octanol 142.39
    1-chlorooctane 119.78
    1-chlorotetradecane 59.51
    n-nonane 38.59
    undecane 30.93
    tert-butylcyclohexane 50.95
    cyclooctane 30.3
    cyclopentanol 395.64
    tetrahydropyran 655.7
    tert-amyl methyl ether 280.91
    2,5,8-trioxanonane 451.02
    1-hexene 158.24
    2-isopropoxyethanol 422.25
    2,2,2-trifluoroethanol 302.91
    methyl butyrate 320.72

    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