4-Methoxy-2-methyl-2-butanethiol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    94087-83-9

    Molecular formula
    C6H14OS

    SMILES
    CC(C)(CCOC)S

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1226.0

  • Odor profile

    Sulfurous 84.63%
    Meaty 65.47%
    Tropical 62.44%
    Sweet 58.9%
    Onion 51.53%
    Grapefruit 44.85%
    Black currant 44.34%
    Roasted 44.25%
    Vegetable 43.02%
    Savory 38.69%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    134.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 159.00 to 160.00 °C. @ 760.00 mm Hg

    Flash point est.
    34.31 ˚C

    Solubility expt.

    • insoluble in water; soluble in ethanol

  • Synonyms

    • 4-Methoxy-2-methyl-2-butanethiol
    • 94087-83-9
    • 4-Methoxy-2-methylbutane-2-thiol
    • 2-Butanethiol, 4-methoxy-2-methyl-
    • EINECS 301-977-9
    • X72J2YFL9Y
    • 4-Methoxy-2-methyl-2-mercaptobutane
    • 4-methoxy-2-methyl-butane-2-thiol
    • DTXSID9052634
    • FEMA NO. 3785
    • 4-methoxy-2-methylbutanethiol-2
    • 2-MERCAPTO-4-METHOXY-2-METHYLBUTANE
    • 4-METHOXY-2-METHYL-2-BUTANETHIOL [FHFI]
    • UNII-X72J2YFL9Y
    • 4-methoxy-2-methyl butane thiol
    • SCHEMBL1770703
    • DTXCID6031207
    • CHEBI:193637
    • AKOS006287903
    • FM00056
    • 4-Methoxy-2-methyl-2-butanethiol, 9CI
    • NS00012835
    • 4-Methoxy-2-methyl-2-butanethiol, analytical standard
    • Q18455502
    • 301-977-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 188.19
    methanol 242.25
    isopropanol 180.65
    water 21.12
    ethyl acetate 127.74
    n-propanol 176.96
    acetone 160.21
    n-butanol 140.36
    acetonitrile 107.71
    DMF 232.47
    toluene 52.23
    isobutanol 145.73
    1,4-dioxane 212.47
    methyl acetate 159.94
    THF 251.79
    2-butanone 156.15
    n-pentanol 85.94
    sec-butanol 185.18
    n-hexane 22.72
    ethylene glycol 168.9
    NMP 264.12
    cyclohexane 35.73
    DMSO 171.38
    n-butyl acetate 118.53
    n-octanol 137.14
    chloroform 456.78
    n-propyl acetate 85.42
    acetic acid 307.79
    dichloromethane 230.63
    cyclohexanone 194.45
    propylene glycol 280.8
    isopropyl acetate 90.31
    DMAc 252.21
    2-ethoxyethanol 161.93
    isopentanol 103.07
    n-heptane 36.84
    ethyl formate 89.56
    1,2-dichloroethane 114.87
    n-hexanol 194.85
    2-methoxyethanol 282.91
    isobutyl acetate 73.6
    tetrachloromethane 112.77
    n-pentyl acetate 81.99
    transcutol 392.12
    n-heptanol 128.04
    ethylbenzene 46.18
    MIBK 77.81
    2-propoxyethanol 285.62
    tert-butanol 250.08
    MTBE 135.06
    2-butoxyethanol 199.64
    propionic acid 238.21
    o-xylene 64.49
    formic acid 154.05
    diethyl ether 83.81
    m-xylene 54.32
    p-xylene 67.51
    chlorobenzene 87.58
    dimethyl carbonate 75.26
    n-octane 16.73
    formamide 118.05
    cyclopentanone 219.64
    2-pentanone 100.59
    anisole 111.28
    cyclopentyl methyl ether 134.32
    gamma-butyrolactone 235.73
    1-methoxy-2-propanol 265.77
    pyridine 140.43
    3-pentanone 100.92
    furfural 249.58
    n-dodecane 17.25
    diethylene glycol 272.97
    diisopropyl ether 42.69
    tert-amyl alcohol 233.15
    acetylacetone 135.19
    n-hexadecane 17.95
    acetophenone 118.6
    methyl propionate 130.72
    isopentyl acetate 120.72
    trichloroethylene 317.25
    n-nonanol 121.06
    cyclohexanol 167.7
    benzyl alcohol 106.4
    2-ethylhexanol 126.83
    isooctanol 101.27
    dipropyl ether 93.56
    1,2-dichlorobenzene 110.75
    ethyl lactate 117.66
    propylene carbonate 178.41
    n-methylformamide 146.48
    2-pentanol 115.93
    n-pentane 23.64
    1-propoxy-2-propanol 241.49
    1-methoxy-2-propyl acetate 162.34
    2-(2-methoxypropoxy) propanol 207.76
    mesitylene 42.49
    ε-caprolactone 188.57
    p-cymene 62.36
    epichlorohydrin 203.19
    1,1,1-trichloroethane 223.24
    2-aminoethanol 233.48
    morpholine-4-carbaldehyde 276.86
    sulfolane 299.94
    2,2,4-trimethylpentane 23.87
    2-methyltetrahydrofuran 193.21
    n-hexyl acetate 151.99
    isooctane 16.45
    2-(2-butoxyethoxy)ethanol 237.26
    sec-butyl acetate 71.85
    tert-butyl acetate 116.66
    decalin 25.61
    glycerin 350.78
    diglyme 325.08
    acrylic acid 230.26
    isopropyl myristate 73.04
    n-butyric acid 201.98
    acetyl acetate 110.22
    di(2-ethylhexyl) phthalate 85.0
    ethyl propionate 87.63
    nitromethane 270.87
    1,2-diethoxyethane 101.24
    benzonitrile 103.02
    trioctyl phosphate 66.96
    1-bromopropane 76.04
    gamma-valerolactone 281.68
    n-decanol 94.85
    triethyl phosphate 74.48
    4-methyl-2-pentanol 79.88
    propionitrile 110.38
    vinylene carbonate 159.7
    1,1,2-trichlorotrifluoroethane 397.56
    DMS 121.86
    cumene 48.93
    2-octanol 90.79
    2-hexanone 82.59
    octyl acetate 98.65
    limonene 91.1
    1,2-dimethoxyethane 176.23
    ethyl orthosilicate 73.55
    tributyl phosphate 72.37
    diacetone alcohol 188.04
    N,N-dimethylaniline 97.64
    acrylonitrile 138.47
    aniline 116.43
    1,3-propanediol 199.87
    bromobenzene 77.36
    dibromomethane 164.81
    1,1,2,2-tetrachloroethane 315.02
    2-methyl-cyclohexyl acetate 127.27
    tetrabutyl urea 87.75
    diisobutyl methanol 76.16
    2-phenylethanol 144.88
    styrene 48.96
    dioctyl adipate 107.0
    dimethyl sulfate 129.14
    ethyl butyrate 95.29
    methyl lactate 169.0
    butyl lactate 119.5
    diethyl carbonate 77.81
    propanediol butyl ether 243.58
    triethyl orthoformate 87.84
    p-tert-butyltoluene 68.54
    methyl 4-tert-butylbenzoate 170.78
    morpholine 228.04
    tert-butylamine 164.4
    n-dodecanol 75.46
    dimethoxymethane 137.53
    ethylene carbonate 123.3
    cyrene 191.97
    2-ethoxyethyl acetate 106.36
    2-ethylhexyl acetate 101.09
    1,2,4-trichlorobenzene 157.57
    4-methylpyridine 127.29
    dibutyl ether 74.55
    2,6-dimethyl-4-heptanol 76.16
    DEF 124.62
    dimethyl isosorbide 261.12
    tetrachloroethylene 229.19
    eugenol 175.51
    triacetin 178.61
    span 80 234.69
    1,4-butanediol 100.98
    1,1-dichloroethane 176.3
    2-methyl-1-pentanol 80.86
    methyl formate 120.3
    2-methyl-1-butanol 125.02
    n-decane 25.25
    butyronitrile 83.86
    3,7-dimethyl-1-octanol 117.57
    1-chlorooctane 71.71
    1-chlorotetradecane 35.49
    n-nonane 23.91
    undecane 20.21
    tert-butylcyclohexane 29.56
    cyclooctane 15.65
    cyclopentanol 196.24
    tetrahydropyran 165.59
    tert-amyl methyl ether 126.37
    2,5,8-trioxanonane 246.16
    1-hexene 49.21
    2-isopropoxyethanol 137.92
    2,2,2-trifluoroethanol 177.52
    methyl butyrate 104.62

    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

Botanical

Name CAS Botanical Proportion
Ribes sanguineum flower headspace Ribes sanguineum L., fam. Grossulariaceae 0.01%