4-(Methylthio)-2-butanol

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  • Identifiers

    CAS number
    13296-23-6

    Molecular formula
    C5H12OS

    SMILES
    CC(CCSC)O

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 76.9%
    Meaty 60.87%
    Vegetable 57.94%
    Onion 56.49%
    Potato 49.66%
    Savory 48.92%
    Cheesy 47.98%
    Garlic 45.84%
    Alliaceous 44.7%
    Cabbage 44.48%

     

    Flavor
    Sulfurous 67.53%
    Vegetable 53.9%
    Onion 53.4%
    Green 42.1%
    Sweet 37.88%
    Potato 33.75%
    Tomato 33.32%
    Sulfury 32.29%
    Meaty 32.07%
    Garlic 30.95%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.45 (neutral)

    Molecular weight
    120.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    196°C

    Flash point

    • 68.12 ˚C est.

  • Synonyms

    • 13296-23-6
    • 4-(Methylthio)-2-butanol
    • RefChem:97504
    • 4-(methylsulfanyl)butan-2-ol
    • 4-(Methylthio)butan-2-ol
    • 4-methylsulfanylbutan-2-ol
    • 4-methylsulanylbutan-2-ol
    • SCHEMBL7582338
    • SCHEMBL11479442
    • CHEBI:193955
    • 4-(Methylthio)-2-butanol, 9CI
    • DTXSID001313042
    • MFCD19602291
    • MFCD20713129
    • AKOS013215213
    • SY206854
    • CS-0242060
    • E85212
    • EN300-244105
    • F657848
    • 13296-23-6

  • Applications

    4-(Methylthio)-2-butanol, CAS 13296-23-6, is a versatile organic synthesis intermediate used as a building block for sulfur-containing compounds across several industries, notably in fragrance and flavor chemistry, pharmaceuticals and agrochemicals, cosmetics/personal care, and as precursors for polymers and coatings in materials applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 755.65
    methanol 879.13
    isopropanol 670.88
    water 9.89
    ethyl acetate 169.49
    n-propanol 625.95
    acetone 474.6
    n-butanol 571.8
    acetonitrile 216.43
    DMF 516.19
    toluene 92.3
    isobutanol 447.02
    1,4-dioxane 437.68
    methyl acetate 194.71
    THF 728.98
    2-butanone 305.45
    n-pentanol 363.72
    sec-butanol 501.59
    n-hexane 61.45
    ethylene glycol 332.1
    NMP 372.72
    cyclohexane 76.01
    DMSO 713.69
    n-butyl acetate 225.95
    n-octanol 211.83
    chloroform 442.19
    n-propyl acetate 136.62
    acetic acid 376.73
    dichloromethane 270.08
    cyclohexanone 457.82
    propylene glycol 459.25
    isopropyl acetate 120.31
    DMAc 308.95
    2-ethoxyethanol 374.43
    isopentanol 384.74
    n-heptane 80.53
    ethyl formate 145.47
    1,2-dichloroethane 170.84
    n-hexanol 534.65
    2-methoxyethanol 645.56
    isobutyl acetate 111.83
    tetrachloromethane 109.28
    n-pentyl acetate 142.39
    transcutol 688.06
    n-heptanol 232.46
    ethylbenzene 54.79
    MIBK 167.71
    2-propoxyethanol 582.71
    tert-butanol 608.2
    MTBE 257.13
    2-butoxyethanol 317.55
    propionic acid 354.5
    o-xylene 79.71
    formic acid 164.88
    diethyl ether 210.63
    m-xylene 88.55
    p-xylene 78.0
    chlorobenzene 125.25
    dimethyl carbonate 60.18
    n-octane 26.04
    formamide 133.48
    cyclopentanone 529.19
    2-pentanone 262.12
    anisole 125.76
    cyclopentyl methyl ether 310.3
    gamma-butyrolactone 398.87
    1-methoxy-2-propanol 497.3
    pyridine 272.29
    3-pentanone 165.07
    furfural 366.49
    n-dodecane 19.24
    diethylene glycol 478.17
    diisopropyl ether 73.78
    tert-amyl alcohol 408.22
    acetylacetone 223.85
    n-hexadecane 21.36
    acetophenone 129.61
    methyl propionate 154.63
    isopentyl acetate 196.43
    trichloroethylene 327.46
    n-nonanol 167.61
    cyclohexanol 404.5
    benzyl alcohol 163.45
    2-ethylhexanol 262.51
    isooctanol 172.83
    dipropyl ether 212.34
    1,2-dichlorobenzene 119.41
    ethyl lactate 111.91
    propylene carbonate 218.41
    n-methylformamide 262.49
    2-pentanol 349.08
    n-pentane 56.64
    1-propoxy-2-propanol 458.71
    1-methoxy-2-propyl acetate 199.26
    2-(2-methoxypropoxy) propanol 231.07
    mesitylene 64.25
    ε-caprolactone 307.48
    p-cymene 73.22
    epichlorohydrin 342.58
    1,1,1-trichloroethane 204.39
    2-aminoethanol 527.83
    morpholine-4-carbaldehyde 426.95
    sulfolane 532.68
    2,2,4-trimethylpentane 29.57
    2-methyltetrahydrofuran 469.89
    n-hexyl acetate 203.42
    isooctane 27.83
    2-(2-butoxyethoxy)ethanol 330.38
    sec-butyl acetate 94.03
    tert-butyl acetate 151.32
    decalin 32.05
    glycerin 495.56
    diglyme 478.17
    acrylic acid 286.52
    isopropyl myristate 85.53
    n-butyric acid 406.45
    acetyl acetate 106.39
    di(2-ethylhexyl) phthalate 96.34
    ethyl propionate 100.73
    nitromethane 319.08
    1,2-diethoxyethane 209.13
    benzonitrile 187.45
    trioctyl phosphate 85.89
    1-bromopropane 153.35
    gamma-valerolactone 492.98
    n-decanol 123.31
    triethyl phosphate 73.75
    4-methyl-2-pentanol 179.66
    propionitrile 237.57
    vinylene carbonate 196.02
    1,1,2-trichlorotrifluoroethane 372.4
    DMS 103.94
    cumene 52.06
    2-octanol 153.79
    2-hexanone 205.11
    octyl acetate 109.07
    limonene 126.6
    1,2-dimethoxyethane 408.63
    ethyl orthosilicate 78.9
    tributyl phosphate 90.43
    diacetone alcohol 279.78
    N,N-dimethylaniline 100.43
    acrylonitrile 251.22
    aniline 175.26
    1,3-propanediol 532.46
    bromobenzene 107.9
    dibromomethane 214.89
    1,1,2,2-tetrachloroethane 321.66
    2-methyl-cyclohexyl acetate 141.48
    tetrabutyl urea 117.12
    diisobutyl methanol 135.99
    2-phenylethanol 200.72
    styrene 68.37
    dioctyl adipate 118.87
    dimethyl sulfate 107.85
    ethyl butyrate 141.52
    methyl lactate 158.52
    butyl lactate 163.92
    diethyl carbonate 85.81
    propanediol butyl ether 356.51
    triethyl orthoformate 117.71
    p-tert-butyltoluene 77.29
    methyl 4-tert-butylbenzoate 157.52
    morpholine 537.03
    tert-butylamine 372.11
    n-dodecanol 95.15
    dimethoxymethane 246.21
    ethylene carbonate 157.86
    cyrene 196.17
    2-ethoxyethyl acetate 154.13
    2-ethylhexyl acetate 151.39
    1,2,4-trichlorobenzene 145.3
    4-methylpyridine 251.62
    dibutyl ether 150.9
    2,6-dimethyl-4-heptanol 135.99
    DEF 224.34
    dimethyl isosorbide 295.15
    tetrachloroethylene 240.87
    eugenol 179.92
    triacetin 170.69
    span 80 270.61
    1,4-butanediol 257.02
    1,1-dichloroethane 226.1
    2-methyl-1-pentanol 247.8
    methyl formate 165.82
    2-methyl-1-butanol 366.38
    n-decane 33.52
    butyronitrile 271.65
    3,7-dimethyl-1-octanol 178.46
    1-chlorooctane 97.05
    1-chlorotetradecane 39.87
    n-nonane 35.81
    undecane 24.45
    tert-butylcyclohexane 37.94
    cyclooctane 29.43
    cyclopentanol 480.38
    tetrahydropyran 472.77
    tert-amyl methyl ether 185.63
    2,5,8-trioxanonane 344.69
    1-hexene 148.38
    2-isopropoxyethanol 271.43
    2,2,2-trifluoroethanol 120.07
    methyl butyrate 150.52

    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