2-(Methylthio)ethanol

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  • Identifiers

    CAS number
    5271-38-5

    Molecular formula
    C3H8OS

    SMILES
    CSCCO

  • Odor profile

    Fragrance
    Sulfurous 85.77%
    Meaty 67.13%
    Vegetable 66.86%
    Onion 65.04%
    Garlic 59.04%
    Alliaceous 54.03%
    Savory 53.92%
    Cabbage 49.84%
    Tomato 47.73%
    Potato 44.57%

     

    Flavor
    Sulfurous 70.88%
    Onion 53.26%
    Vegetable 52.21%
    Meaty 42.18%
    Potato 38.39%
    Sulfury 37.86%
    Garlic 36.78%
    Sweet 36.51%
    Roasted 32.69%
    Cabbage 31.79%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    7.28 (neutral)

    Molecular weight
    92.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 169.00 to 171.00 °C. @ 760.00 mm Hg

    Flash point

    • 61.74 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in non-polar solvents
    • soluble (in ethanol)

  • Synonyms

    • 2-(Methylthio)ethanol
    • 5271-38-5
    • Ethanol, 2-(methylthio)-
    • 2-methylthioethanol
    • 2-methylsulfanylethanol
    • Methylthioethanol
    • 2-Methylmercaptoethanol
    • 2-Hydroxyethyl methyl sulfide
    • 2-(Methylsulfanyl)ethanol
    • Hydroxyethyl methyl sulfide
    • S-Methylmercaptoethanol
    • 2-(methylsulfanyl)ethan-1-ol
    • Methyl 2-hydroxyethyl sulfide
    • 2-methylsulfanyl-ethanol
    • beta-Methylmercaptoethanol
    • beta-Hydroxyethyl methyl sulfide
    • beta-(Methylthio)ethanol
    • 1-Hydroxy-2-(methylthio)-ethane
    • NSC 1902
    • .beta.-Methylmercaptoethanol
    • 5K6TOE95UY
    • methylmercaptoethanol
    • 2-MethyIthioethanol
    • CHEBI:63861
    • 2-(methylthio)-ethanol
    • NSC-1902
    • EINECS 226-090-3
    • 2-(Methylmercapto)ethanol
    • AI3-17419
    • CHEMBL277871
    • METHYLSULFANYL-1-ETHANOL
    • FEMA NO. 4004
    • DTXSID90200678
    • 2-(METHYLTHIO)ETHYL ALCOHOL
    • 2-(METHYLTHIO)ETHANOL [FHFI]
    • 2-(Methylthio) Ethanol
    • 2-methylthio ethanol
    • MFCD00002908
    • UNII-5K6TOE95UY
    • 2-Hydroxyethylmethyl sulfide
    • Ethanol, 2-methylthio
    • 2-methanesulfanylethanol
    • 2-methylsulphanylethanol
    • (2-methylsulfanyl)ethanol
    • 2-hydroxyethyl-methylsulfid
    • .beta.-(Methylthio)ethanol
    • 2-Hydroxyethyl-methylsulfide
    • 2-(Methylsulfanyl)ethanol #
    • 2-(Methylthio)ethanol, 99%
    • WBBPRCNXBQTYLF-UHFFFAOYSA-
    • DTXCID20123169
    • NSC1902
    • 2-(Methylthio)ethanol, >=99%
    • .beta.-Hydroxyethyl methyl sulfide
    • BDBM50026479
    • AKOS009075584
    • SB83788
    • AS-57506
    • DB-003209
    • CS-0150086
    • M0358
    • NS00022295
    • EN300-95780
    • Q27132867
    • 2-(Methylmercapto)ethanol 2-Hydroxyethyl methyl sulfide
    • InChI=1/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3
    • Z149154880
    • 226-090-3

  • Applications

    2-(Methylthio)ethanol (CAS 5271-38-5) is a stable sulfur-containing liquid widely employed by research laboratories and chemical plants as an intermediate for synthesizing sulfur-based pharmaceuticals, crop-protection agents, rubber additives, polymer chain-transfer regulators, corrosion inhibitors and polar co-solvents in extraction processes; it is also used to prepare thiol-type flavor ingredients for the food industry, formulate analytical reagents for heavy-metal detection, manufacture high-performance surfactants and industrial cleaners, and serve as a versatile building block in alkylation, redox and functional-group-transformation reactions aimed at developing conductive materials and next-generation active pharmaceutical ingredients.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 508.63
    methanol 722.66
    isopropanol 238.86
    water 39.95
    ethyl acetate 67.45
    n-propanol 331.87
    acetone 203.87
    n-butanol 245.14
    acetonitrile 89.49
    DMF 232.9
    toluene 12.0
    isobutanol 168.27
    1,4-dioxane 232.71
    methyl acetate 77.83
    THF 427.73
    2-butanone 103.58
    n-pentanol 117.77
    sec-butanol 164.69
    n-hexane 6.83
    ethylene glycol 280.01
    NMP 332.3
    cyclohexane 20.19
    DMSO 578.64
    n-butyl acetate 117.33
    n-octanol 73.77
    chloroform 95.66
    n-propyl acetate 61.4
    acetic acid 858.43
    dichloromethane 68.22
    cyclohexanone 275.31
    propylene glycol 241.03
    isopropyl acetate 36.89
    DMAc 123.43
    2-ethoxyethanol 205.19
    isopentanol 124.4
    n-heptane 22.63
    ethyl formate 83.83
    1,2-dichloroethane 50.56
    n-hexanol 185.12
    2-methoxyethanol 409.14
    isobutyl acetate 38.09
    tetrachloromethane 33.34
    n-pentyl acetate 62.42
    transcutol 547.43
    n-heptanol 89.34
    ethylbenzene 6.75
    MIBK 41.47
    2-propoxyethanol 278.4
    tert-butanol 219.16
    MTBE 44.45
    2-butoxyethanol 172.03
    propionic acid 323.76
    o-xylene 12.59
    formic acid 504.21
    diethyl ether 51.58
    m-xylene 12.55
    p-xylene 11.0
    chlorobenzene 32.33
    dimethyl carbonate 18.74
    n-octane 6.02
    formamide 397.45
    cyclopentanone 322.18
    2-pentanone 82.18
    anisole 31.63
    cyclopentyl methyl ether 123.02
    gamma-butyrolactone 335.79
    1-methoxy-2-propanol 215.8
    pyridine 125.98
    3-pentanone 49.73
    furfural 273.06
    n-dodecane 4.39
    diethylene glycol 293.95
    diisopropyl ether 14.99
    tert-amyl alcohol 135.14
    acetylacetone 90.5
    n-hexadecane 4.72
    acetophenone 42.83
    methyl propionate 58.3
    isopentyl acetate 82.42
    trichloroethylene 110.49
    n-nonanol 62.39
    cyclohexanol 213.28
    benzyl alcohol 54.76
    2-ethylhexanol 94.53
    isooctanol 62.36
    dipropyl ether 81.62
    1,2-dichlorobenzene 34.57
    ethyl lactate 49.35
    propylene carbonate 130.22
    n-methylformamide 228.92
    2-pentanol 106.05
    n-pentane 9.44
    1-propoxy-2-propanol 236.4
    1-methoxy-2-propyl acetate 94.51
    2-(2-methoxypropoxy) propanol 130.34
    mesitylene 10.2
    ε-caprolactone 198.2
    p-cymene 20.22
    epichlorohydrin 181.56
    1,1,1-trichloroethane 46.92
    2-aminoethanol 382.36
    morpholine-4-carbaldehyde 294.93
    sulfolane 419.08
    2,2,4-trimethylpentane 4.41
    2-methyltetrahydrofuran 228.39
    n-hexyl acetate 80.27
    isooctane 4.08
    2-(2-butoxyethoxy)ethanol 202.91
    sec-butyl acetate 30.14
    tert-butyl acetate 47.75
    decalin 5.8
    glycerin 343.17
    diglyme 286.96
    acrylic acid 302.66
    isopropyl myristate 32.37
    n-butyric acid 295.05
    acetyl acetate 52.56
    di(2-ethylhexyl) phthalate 45.95
    ethyl propionate 35.8
    nitromethane 444.04
    1,2-diethoxyethane 104.64
    benzonitrile 57.6
    trioctyl phosphate 38.1
    1-bromopropane 24.84
    gamma-valerolactone 368.05
    n-decanol 46.22
    triethyl phosphate 35.42
    4-methyl-2-pentanol 40.29
    propionitrile 68.31
    vinylene carbonate 115.51
    1,1,2-trichlorotrifluoroethane 251.73
    DMS 43.11
    cumene 8.65
    2-octanol 47.81
    2-hexanone 67.17
    octyl acetate 46.64
    limonene 40.73
    1,2-dimethoxyethane 172.8
    ethyl orthosilicate 34.78
    tributyl phosphate 42.21
    diacetone alcohol 106.12
    N,N-dimethylaniline 25.39
    acrylonitrile 95.99
    aniline 62.31
    1,3-propanediol 395.06
    bromobenzene 20.87
    dibromomethane 45.39
    1,1,2,2-tetrachloroethane 103.25
    2-methyl-cyclohexyl acetate 69.65
    tetrabutyl urea 58.33
    diisobutyl methanol 45.17
    2-phenylethanol 84.71
    styrene 9.19
    dioctyl adipate 60.68
    dimethyl sulfate 44.03
    ethyl butyrate 71.16
    methyl lactate 66.85
    butyl lactate 81.23
    diethyl carbonate 38.61
    propanediol butyl ether 163.33
    triethyl orthoformate 58.34
    p-tert-butyltoluene 20.36
    methyl 4-tert-butylbenzoate 74.64
    morpholine 334.85
    tert-butylamine 103.65
    n-dodecanol 35.55
    dimethoxymethane 81.73
    ethylene carbonate 92.68
    cyrene 119.65
    2-ethoxyethyl acetate 77.5
    2-ethylhexyl acetate 62.36
    1,2,4-trichlorobenzene 47.03
    4-methylpyridine 72.38
    dibutyl ether 52.1
    2,6-dimethyl-4-heptanol 45.17
    DEF 91.11
    dimethyl isosorbide 192.2
    tetrachloroethylene 102.73
    eugenol 95.14
    triacetin 81.53
    span 80 165.8
    1,4-butanediol 138.47
    1,1-dichloroethane 36.28
    2-methyl-1-pentanol 69.26
    methyl formate 116.43
    2-methyl-1-butanol 124.97
    n-decane 7.46
    butyronitrile 72.47
    3,7-dimethyl-1-octanol 57.99
    1-chlorooctane 25.78
    1-chlorotetradecane 10.61
    n-nonane 7.47
    undecane 5.45
    tert-butylcyclohexane 6.16
    cyclooctane 5.73
    cyclopentanol 289.83
    tetrahydropyran 211.61
    tert-amyl methyl ether 36.92
    2,5,8-trioxanonane 236.67
    1-hexene 18.01
    2-isopropoxyethanol 116.1
    2,2,2-trifluoroethanol 217.38
    methyl butyrate 59.58

    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