3-Mercapto-3-methyl-1-butanol

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  • Identifiers

    CAS number
    34300-94-2

    Molecular formula
    C5H12OS

    SMILES
    CC(C)(CCO)S

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Sulfurous 80.5%
    Meaty 70.91%
    Sweet 61.82%
    Onion 52.77%
    Tropical 51.59%
    Roasted 50.33%
    Grapefruit 48.86%
    Savory 40.43%
    Black currant 40.22%
    Vegetable 36.31%

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  • Properties

    XLogP3-AA
    0.8

    Molecular weight
    120.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 186.00 °C. @ 730.00 mm Hg

    Flash point est.
    69.24 ˚C

    Solubility expt.

    • soluble in water at 10 g/l at 20�C, white petrolatum at <100 g/kg at 20�C, acetone and 95% ethanol at 20�C

  • Synonyms

    • 3-Mercapto-3-methyl-1-butanol
    • 34300-94-2
    • 3-methyl-3-sulfanylbutan-1-ol
    • 3-Mercapto-3-methylbutan-1-ol
    • 3-Mercapto-3-methylbutanol
    • 1-Butanol, 3-mercapto-3-methyl-
    • 3-Methyl-3-sulfanyl-1-butanol
    • FEMA no. 3854
    • UNII-1RF3LN9685
    • 3-Mercapto-3-methyl-1-butanol [FHFI]
    • 3-mercapto-3-methyl-butan-1-ol
    • 1RF3LN9685
    • FEMA 3854
    • 3-Methyl-3-sulfanylbutanol-1-ol
    • CHEBI:156142
    • DTXSID50187870
    • 3-Mercapto-3-methyl butyl alcohol
    • MFCD00101881
    • SCHEMBL334236
    • 3-Methyl-3-sulphanylbutan-1-ol
    • 3-methyl-3-sulfanyl-butan-1-ol
    • DTXCID10110361
    • AKOS015897572
    • FM35730
    • AS-59797
    • DB-105627
    • M2433
    • NS00121535
    • 3-Mercapto-3-methylbutan-1-ol, >=98%, FG
    • D91597
    • EN300-179774
    • A822156
    • Q14201168
    • 629-355-5

  • Applications

    3-Mercapto-3-methylbutan-1-ol (MMB, CAS 34300-94-2) is a highly potent volatile organosulfur compound with an ultra-low odor threshold, extensively used in the flavor, food and beverage industries to impart or reinforce grapefruit, passion-fruit and gooseberry nuances in Sauvignon Blanc wines, hop-forward IPAs, soft drinks, confectionery, dairy desserts, juices and compounded flavors; it also serves as a GC-MS/GC-SCD reference for monitoring volatile sulfur compounds, a model substrate for studies on thiol release during fermentation, and a trace ingredient in niche perfumery where it lends a fresh “green-citrus” or “zesty grapefruit” lift to fine-fragrance compositions.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 313.34
    methanol 487.74
    isopropanol 179.81
    water 92.31
    ethyl acetate 57.25
    n-propanol 210.21
    acetone 80.44
    n-butanol 168.39
    acetonitrile 52.87
    DMF 110.3
    toluene 9.37
    isobutanol 118.62
    1,4-dioxane 149.65
    methyl acetate 71.41
    THF 200.48
    2-butanone 66.91
    n-pentanol 73.8
    sec-butanol 148.86
    n-hexane 6.24
    ethylene glycol 227.28
    NMP 159.15
    cyclohexane 8.06
    DMSO 98.21
    n-butyl acetate 60.72
    n-octanol 84.66
    chloroform 76.07
    n-propyl acetate 40.63
    acetic acid 432.59
    dichloromethane 39.73
    cyclohexanone 89.02
    propylene glycol 265.86
    isopropyl acetate 36.19
    DMAc 108.91
    2-ethoxyethanol 161.02
    isopentanol 86.79
    n-heptane 14.1
    ethyl formate 53.7
    1,2-dichloroethane 23.18
    n-hexanol 156.72
    2-methoxyethanol 329.52
    isobutyl acetate 30.55
    tetrachloromethane 26.12
    n-pentyl acetate 46.42
    transcutol 326.1
    n-heptanol 101.08
    ethylbenzene 6.96
    MIBK 35.37
    2-propoxyethanol 247.4
    tert-butanol 159.9
    MTBE 57.33
    2-butoxyethanol 161.09
    propionic acid 198.08
    o-xylene 12.56
    formic acid 342.67
    diethyl ether 49.55
    m-xylene 12.63
    p-xylene 10.94
    chlorobenzene 17.3
    dimethyl carbonate 25.14
    n-octane 5.38
    formamide 184.57
    cyclopentanone 107.9
    2-pentanone 52.37
    anisole 30.2
    cyclopentyl methyl ether 75.48
    gamma-butyrolactone 136.45
    1-methoxy-2-propanol 211.36
    pyridine 50.65
    3-pentanone 41.18
    furfural 124.54
    n-dodecane 4.52
    diethylene glycol 246.95
    diisopropyl ether 16.95
    tert-amyl alcohol 133.76
    acetylacetone 54.25
    n-hexadecane 4.66
    acetophenone 35.58
    methyl propionate 54.34
    isopentyl acetate 50.37
    trichloroethylene 60.62
    n-nonanol 72.24
    cyclohexanol 100.99
    benzyl alcohol 42.09
    2-ethylhexanol 70.59
    isooctanol 64.91
    dipropyl ether 51.96
    1,2-dichlorobenzene 21.38
    ethyl lactate 53.09
    propylene carbonate 80.76
    n-methylformamide 119.76
    2-pentanol 96.34
    n-pentane 8.8
    1-propoxy-2-propanol 175.55
    1-methoxy-2-propyl acetate 78.95
    2-(2-methoxypropoxy) propanol 127.25
    mesitylene 10.39
    ε-caprolactone 96.17
    p-cymene 18.29
    epichlorohydrin 89.97
    1,1,1-trichloroethane 35.43
    2-aminoethanol 300.68
    morpholine-4-carbaldehyde 171.64
    sulfolane 143.78
    2,2,4-trimethylpentane 6.82
    2-methyltetrahydrofuran 113.22
    n-hexyl acetate 74.55
    isooctane 5.18
    2-(2-butoxyethoxy)ethanol 169.33
    sec-butyl acetate 28.49
    tert-butyl acetate 49.69
    decalin 4.43
    glycerin 356.83
    diglyme 198.08
    acrylic acid 186.07
    isopropyl myristate 31.29
    n-butyric acid 155.87
    acetyl acetate 42.16
    di(2-ethylhexyl) phthalate 43.53
    ethyl propionate 36.47
    nitromethane 181.86
    1,2-diethoxyethane 59.9
    benzonitrile 31.57
    trioctyl phosphate 34.24
    1-bromopropane 17.71
    gamma-valerolactone 163.03
    n-decanol 52.43
    triethyl phosphate 29.84
    4-methyl-2-pentanol 49.38
    propionitrile 47.06
    vinylene carbonate 64.98
    1,1,2-trichlorotrifluoroethane 161.53
    DMS 42.7
    cumene 9.5
    2-octanol 54.27
    2-hexanone 38.29
    octyl acetate 46.61
    limonene 29.18
    1,2-dimethoxyethane 107.32
    ethyl orthosilicate 30.29
    tributyl phosphate 36.57
    diacetone alcohol 102.65
    N,N-dimethylaniline 25.99
    acrylonitrile 54.31
    aniline 40.83
    1,3-propanediol 290.81
    bromobenzene 10.76
    dibromomethane 28.12
    1,1,2,2-tetrachloroethane 59.71
    2-methyl-cyclohexyl acetate 55.72
    tetrabutyl urea 46.97
    diisobutyl methanol 35.66
    2-phenylethanol 69.41
    styrene 7.11
    dioctyl adipate 48.14
    dimethyl sulfate 42.0
    ethyl butyrate 45.28
    methyl lactate 74.3
    butyl lactate 65.53
    diethyl carbonate 29.81
    propanediol butyl ether 156.52
    triethyl orthoformate 41.68
    p-tert-butyltoluene 20.74
    methyl 4-tert-butylbenzoate 75.06
    morpholine 196.5
    tert-butylamine 89.37
    n-dodecanol 39.21
    dimethoxymethane 74.28
    ethylene carbonate 54.96
    cyrene 98.93
    2-ethoxyethyl acetate 60.9
    2-ethylhexyl acetate 40.66
    1,2,4-trichlorobenzene 32.25
    4-methylpyridine 36.65
    dibutyl ether 32.98
    2,6-dimethyl-4-heptanol 35.66
    DEF 59.19
    dimethyl isosorbide 148.23
    tetrachloroethylene 55.34
    eugenol 89.43
    triacetin 76.0
    span 80 142.42
    1,4-butanediol 107.19
    1,1-dichloroethane 28.03
    2-methyl-1-pentanol 51.5
    methyl formate 80.31
    2-methyl-1-butanol 96.27
    n-decane 7.57
    butyronitrile 42.86
    3,7-dimethyl-1-octanol 62.01
    1-chlorooctane 24.53
    1-chlorotetradecane 10.84
    n-nonane 7.14
    undecane 5.61
    tert-butylcyclohexane 6.6
    cyclooctane 3.56
    cyclopentanol 134.79
    tetrahydropyran 96.31
    tert-amyl methyl ether 52.72
    2,5,8-trioxanonane 162.12
    1-hexene 14.36
    2-isopropoxyethanol 102.22
    2,2,2-trifluoroethanol 173.59
    methyl butyrate 44.47

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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