4-(Methylthio)butanol

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  • Identifiers

    CAS number
    20582-85-8

    Molecular formula
    C5H12OS

    SMILES
    CSCCCCO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 80.56%
    Vegetable 68.34%
    Green 56.37%
    Meaty 54.92%
    Fruity 53.33%
    Cheesy 52.94%
    Onion 51.97%
    Potato 49.59%
    Cabbage 49.28%
    Savory 48.04%

     

    Flavor
    Sulfurous 65.03%
    Sweet 57.99%
    Vegetable 54.97%
    Onion 50.58%
    Potato 39.44%
    Sulfury 32.26%
    Earthy 31.73%
    Burnt 31.56%
    Tomato 31.53%
    Meaty 30.78%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    6.67 (neutral)

    Molecular weight
    120.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 95.00 to 98.00 °C. @ 20.00 mm Hg

    Flash point

    • 85.8 ˚C est.

    Solubility expt.

    • soluble in water and fat

  • Synonyms

    • 4-(Methylthio)butanol
    • 20582-85-8
    • 4-(Methylthio)-1-butanol
    • 4-methylsulfanylbutan-1-ol
    • 4-(methylsulfanyl)butan-1-ol
    • 1-Butanol, 4-(methylthio)-
    • FEMA No. 3600
    • 4-methylthiobutan-1-ol
    • YL87URY6PC
    • 4-(methylthio)butan-1-ol
    • 4-(Methylsulfanyl)-1-butanol
    • 1-Butanol, 4-methylthio
    • DTXSID60174594
    • 4-(methyl thio) butanol
    • UNII-YL87URY6PC
    • MFCD00002973
    • 4-methylsulanylbutan-1-ol
    • SCHEMBL283183
    • 4-(Methylthio)butanol, 97%
    • CHEMBL117865
    • DTXCID0097085
    • FEMA 3600
    • CHEBI:166590
    • 4-(Methylthio)-1-butanol, 9CI
    • 4-(Methylthio)-1-butanol, 97%
    • 4-(Methylthio)butanol, 97%, FG
    • AKOS009157553
    • AS-57612
    • CS-0204406
    • NS00021837
    • EN300-170886
    • G73549
    • A814718
    • Q27294573
    • 606-585-4
    • 927-354-7

  • Applications

    4-(Methylthio)butanol (CAS 20582-85-8) is a sulfur-bearing alcohol with a characteristic onion-garlic odour; the flavour industry employs it to build umami profiles and enhance the depth of sauces, instant soups, savoury snacks and seasoning blends, while recreating the natural aroma of scallion, garlic and onion in low-fat foods; it is also a building block for synthesising complex thioesters and mercaptans for perfumery, beer, roasted coffee and grilled-meat flavours, a tracer in Maillard-reaction research, protein oxidative-stability tests and sensory-panel training, a model reagent for studying sulfur-odour removal in wastewater treatment, and a versatile intermediate in pharmaceutical and agrochemical synthesis thanks to its readily derivatisable thio functionality.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2424.82
    methanol 2050.18
    isopropanol 1827.9
    water 3.79
    ethyl acetate 480.4
    n-propanol 1732.31
    acetone 1422.97
    n-butanol 1661.67
    acetonitrile 638.69
    DMF 1167.35
    toluene 117.07
    isobutanol 1068.88
    1,4-dioxane 1279.7
    methyl acetate 420.84
    THF 2677.32
    2-butanone 667.46
    n-pentanol 720.5
    sec-butanol 1040.42
    n-hexane 61.27
    ethylene glycol 498.07
    NMP 953.77
    cyclohexane 179.65
    DMSO 3028.59
    n-butyl acetate 766.58
    n-octanol 318.05
    chloroform 946.02
    n-propyl acetate 390.9
    acetic acid 1526.61
    dichloromethane 970.24
    cyclohexanone 1633.92
    propylene glycol 634.52
    isopropyl acetate 270.74
    DMAc 403.87
    2-ethoxyethanol 739.54
    isopentanol 944.69
    n-heptane 161.37
    ethyl formate 528.68
    1,2-dichloroethane 590.44
    n-hexanol 1017.52
    2-methoxyethanol 1588.98
    isobutyl acetate 224.21
    tetrachloromethane 188.71
    n-pentyl acetate 344.78
    transcutol 1757.22
    n-heptanol 378.88
    ethylbenzene 65.63
    MIBK 321.69
    2-propoxyethanol 1000.31
    tert-butanol 1419.0
    MTBE 390.19
    2-butoxyethanol 547.46
    propionic acid 984.91
    o-xylene 93.77
    formic acid 393.73
    diethyl ether 465.15
    m-xylene 96.4
    p-xylene 96.83
    chlorobenzene 252.74
    dimethyl carbonate 97.01
    n-octane 38.58
    formamide 506.41
    cyclopentanone 1790.15
    2-pentanone 680.2
    anisole 189.27
    cyclopentyl methyl ether 800.45
    gamma-butyrolactone 1641.82
    1-methoxy-2-propanol 1062.47
    pyridine 788.24
    3-pentanone 311.68
    furfural 1059.48
    n-dodecane 23.91
    diethylene glycol 714.67
    diisopropyl ether 123.82
    tert-amyl alcohol 706.55
    acetylacetone 563.07
    n-hexadecane 26.78
    acetophenone 213.16
    methyl propionate 334.65
    isopentyl acetate 503.7
    trichloroethylene 1013.56
    n-nonanol 254.16
    cyclohexanol 1142.33
    benzyl alcohol 259.78
    2-ethylhexanol 488.36
    isooctanol 265.22
    dipropyl ether 581.13
    1,2-dichlorobenzene 220.24
    ethyl lactate 177.36
    propylene carbonate 674.71
    n-methylformamide 814.43
    2-pentanol 758.4
    n-pentane 83.12
    1-propoxy-2-propanol 877.45
    1-methoxy-2-propyl acetate 406.65
    2-(2-methoxypropoxy) propanol 310.7
    mesitylene 71.35
    ε-caprolactone 1057.02
    p-cymene 123.43
    epichlorohydrin 1201.89
    1,1,1-trichloroethane 463.3
    2-aminoethanol 936.14
    morpholine-4-carbaldehyde 1027.4
    sulfolane 1752.72
    2,2,4-trimethylpentane 30.0
    2-methyltetrahydrofuran 1489.76
    n-hexyl acetate 422.61
    isooctane 30.15
    2-(2-butoxyethoxy)ethanol 540.1
    sec-butyl acetate 185.42
    tert-butyl acetate 295.58
    decalin 43.7
    glycerin 677.97
    diglyme 1009.31
    acrylic acid 692.77
    isopropyl myristate 150.74
    n-butyric acid 1517.5
    acetyl acetate 235.73
    di(2-ethylhexyl) phthalate 142.57
    ethyl propionate 222.11
    nitromethane 1407.08
    1,2-diethoxyethane 555.19
    benzonitrile 387.46
    trioctyl phosphate 138.38
    1-bromopropane 373.89
    gamma-valerolactone 1820.89
    n-decanol 177.17
    triethyl phosphate 142.09
    4-methyl-2-pentanol 292.2
    propionitrile 569.9
    vinylene carbonate 560.71
    1,1,2-trichlorotrifluoroethane 781.17
    DMS 172.84
    cumene 58.78
    2-octanol 224.28
    2-hexanone 415.52
    octyl acetate 198.13
    limonene 249.48
    1,2-dimethoxyethane 923.54
    ethyl orthosilicate 149.87
    tributyl phosphate 157.63
    diacetone alcohol 492.39
    N,N-dimethylaniline 127.99
    acrylonitrile 648.64
    aniline 336.07
    1,3-propanediol 1350.93
    bromobenzene 204.02
    dibromomethane 638.16
    1,1,2,2-tetrachloroethane 802.47
    2-methyl-cyclohexyl acetate 296.67
    tetrabutyl urea 226.69
    diisobutyl methanol 258.42
    2-phenylethanol 316.95
    styrene 88.87
    dioctyl adipate 234.77
    dimethyl sulfate 181.23
    ethyl butyrate 442.09
    methyl lactate 232.84
    butyl lactate 304.14
    diethyl carbonate 211.51
    propanediol butyl ether 482.59
    triethyl orthoformate 287.46
    p-tert-butyltoluene 110.92
    methyl 4-tert-butylbenzoate 251.26
    morpholine 1829.83
    tert-butylamine 802.98
    n-dodecanol 135.06
    dimethoxymethane 508.63
    ethylene carbonate 519.39
    cyrene 310.84
    2-ethoxyethyl acetate 343.84
    2-ethylhexyl acetate 364.72
    1,2,4-trichlorobenzene 274.11
    4-methylpyridine 558.53
    dibutyl ether 326.8
    2,6-dimethyl-4-heptanol 258.42
    DEF 578.82
    dimethyl isosorbide 527.35
    tetrachloroethylene 582.44
    eugenol 275.03
    triacetin 285.69
    span 80 428.57
    1,4-butanediol 436.71
    1,1-dichloroethane 537.59
    2-methyl-1-pentanol 427.87
    methyl formate 480.35
    2-methyl-1-butanol 785.01
    n-decane 42.58
    butyronitrile 866.75
    3,7-dimethyl-1-octanol 268.94
    1-chlorooctane 150.25
    1-chlorotetradecane 58.24
    n-nonane 45.51
    undecane 30.24
    tert-butylcyclohexane 38.83
    cyclooctane 47.15
    cyclopentanol 1593.51
    tetrahydropyran 1701.37
    tert-amyl methyl ether 246.84
    2,5,8-trioxanonane 609.24
    1-hexene 195.6
    2-isopropoxyethanol 446.7
    2,2,2-trifluoroethanol 297.83
    methyl butyrate 413.27

    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