3-(Methylthio)-2-butanone

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  • Identifiers

    CAS number
    53475-15-3

    Molecular formula
    C5H10OS

    SMILES
    CC(C(=O)C)SC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Sulfurous 68.43%
    Vegetable 55.49%
    Meaty 53.08%
    Onion 50.97%
    Fatty 48.33%
    Cheesy 46.91%
    Potato 43.61%
    Alliaceous 43.32%
    Oily 42.11%
    Savory 42.1%

    Scent© AI

  • Properties

    XLogP3-AA
    1.0

    Molecular weight
    118.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 147.00 to 178.00 °C. @ 760.00 mm Hg

    Flash point est.
    44.72 ˚C

    Solubility expt.

    • Sparingly soluble
    • Soluble (in ethanol)

  • Synonyms

    • 3-Methylthio-2-butanone
    • 53475-15-3
    • 3-(Methylthio)-2-butanone
    • 3-methylsulfanylbutan-2-one
    • 2-Butanone, 3-(methylthio)-
    • DL-3-(Methylthio)butanone
    • EINECS 258-576-6
    • 9B48E0787W
    • dextro,laevo-3-(methyl thio) butanone
    • 3-(METHYLTHIO)BUTANONE
    • 3-(methylsulfanyl)butan-2-one
    • dl-3-(Methylthio)-2-butanone
    • FEMA NO. 4181
    • DTXSID80866343
    • 3-(METHYLTHIO)-2-BUTANONE [FHFI]
    • (+/-)-3-(METHYLTHIO)-2-BUTANONE
    • 3-(METHYLTHIO)-2-BUTANONE, (+/-)-
    • 3-Methylmercapto-2-butanone
    • UNII-9B48E0787W
    • 3-methylsulanylbutan-2-one
    • 3-(methylthio)butan-2-one
    • 3-(Methylsulfanyl)-2-butanone
    • SCHEMBL2180984
    • HFVLNCDRAMUMCC-UHFFFAOYSA-
    • DTXCID10814635
    • CHEBI:173460
    • 3-(Methylsulfanyl)-2-butanone #
    • MFCD00008761
    • AKOS009157612
    • 99315-41-0
    • CS-0453432
    • M1113
    • NS00059067
    • D91444
    • Q27272297
    • InChI=1/C5H10OS/c1-4(6)5(2)7-3/h5H,1-3H3
    • 258-576-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 676.14
    methanol 899.29
    isopropanol 498.0
    water 22.3
    ethyl acetate 468.67
    n-propanol 523.55
    acetone 629.47
    n-butanol 425.04
    acetonitrile 611.23
    DMF 586.83
    toluene 271.03
    isobutanol 351.56
    1,4-dioxane 1184.59
    methyl acetate 502.32
    THF 991.18
    2-butanone 530.83
    n-pentanol 324.19
    sec-butanol 463.31
    n-hexane 92.71
    ethylene glycol 190.49
    NMP 815.25
    cyclohexane 158.04
    DMSO 554.72
    n-butyl acetate 313.12
    n-octanol 219.57
    chloroform 1514.16
    n-propyl acetate 259.62
    acetic acid 803.07
    dichloromethane 1057.81
    cyclohexanone 830.04
    propylene glycol 224.68
    isopropyl acetate 241.79
    DMAc 523.87
    2-ethoxyethanol 467.98
    isopentanol 313.52
    n-heptane 74.81
    ethyl formate 302.91
    1,2-dichloroethane 541.62
    n-hexanol 362.57
    2-methoxyethanol 661.46
    isobutyl acetate 154.13
    tetrachloromethane 388.56
    n-pentyl acetate 260.64
    transcutol 1542.46
    n-heptanol 197.1
    ethylbenzene 151.08
    MIBK 204.43
    2-propoxyethanol 501.06
    tert-butanol 536.15
    MTBE 361.83
    2-butoxyethanol 333.22
    propionic acid 512.97
    o-xylene 205.93
    formic acid 365.72
    diethyl ether 470.18
    m-xylene 180.78
    p-xylene 221.39
    chlorobenzene 416.34
    dimethyl carbonate 98.53
    n-octane 31.96
    formamide 456.35
    cyclopentanone 812.81
    2-pentanone 369.97
    anisole 331.59
    cyclopentyl methyl ether 460.22
    gamma-butyrolactone 850.38
    1-methoxy-2-propanol 455.82
    pyridine 706.68
    3-pentanone 299.26
    furfural 871.3
    n-dodecane 22.81
    diethylene glycol 413.4
    diisopropyl ether 125.53
    tert-amyl alcohol 468.79
    acetylacetone 414.21
    n-hexadecane 25.32
    acetophenone 296.61
    methyl propionate 300.88
    isopentyl acetate 248.24
    trichloroethylene 1095.86
    n-nonanol 189.91
    cyclohexanol 508.45
    benzyl alcohol 266.5
    2-ethylhexanol 207.61
    isooctanol 156.77
    dipropyl ether 231.45
    1,2-dichlorobenzene 384.41
    ethyl lactate 130.03
    propylene carbonate 416.66
    n-methylformamide 412.61
    2-pentanol 298.88
    n-pentane 83.94
    1-propoxy-2-propanol 352.55
    1-methoxy-2-propyl acetate 294.56
    2-(2-methoxypropoxy) propanol 308.35
    mesitylene 112.58
    ε-caprolactone 683.06
    p-cymene 113.24
    epichlorohydrin 757.2
    1,1,1-trichloroethane 736.65
    2-aminoethanol 345.41
    morpholine-4-carbaldehyde 842.55
    sulfolane 790.98
    2,2,4-trimethylpentane 41.81
    2-methyltetrahydrofuran 841.01
    n-hexyl acetate 362.73
    isooctane 28.05
    2-(2-butoxyethoxy)ethanol 438.43
    sec-butyl acetate 183.78
    tert-butyl acetate 257.0
    decalin 70.26
    glycerin 300.1
    diglyme 741.36
    acrylic acid 438.86
    isopropyl myristate 128.88
    n-butyric acid 515.74
    acetyl acetate 303.56
    di(2-ethylhexyl) phthalate 123.3
    ethyl propionate 211.69
    nitromethane 933.8
    1,2-diethoxyethane 455.13
    benzonitrile 418.25
    trioctyl phosphate 90.82
    1-bromopropane 367.9
    gamma-valerolactone 1050.98
    n-decanol 128.78
    triethyl phosphate 122.77
    4-methyl-2-pentanol 149.36
    propionitrile 407.36
    vinylene carbonate 406.72
    1,1,2-trichlorotrifluoroethane 600.46
    DMS 246.27
    cumene 120.47
    2-octanol 149.17
    2-hexanone 308.59
    octyl acetate 163.32
    limonene 188.79
    1,2-dimethoxyethane 611.84
    ethyl orthosilicate 125.81
    tributyl phosphate 114.53
    diacetone alcohol 316.84
    N,N-dimethylaniline 219.13
    acrylonitrile 459.48
    aniline 374.72
    1,3-propanediol 403.73
    bromobenzene 397.68
    dibromomethane 705.47
    1,1,2,2-tetrachloroethane 858.59
    2-methyl-cyclohexyl acetate 213.89
    tetrabutyl urea 141.44
    diisobutyl methanol 118.4
    2-phenylethanol 284.85
    styrene 194.48
    dioctyl adipate 184.43
    dimethyl sulfate 171.04
    ethyl butyrate 228.36
    methyl lactate 180.91
    butyl lactate 193.57
    diethyl carbonate 151.12
    propanediol butyl ether 312.19
    triethyl orthoformate 184.59
    p-tert-butyltoluene 109.64
    methyl 4-tert-butylbenzoate 256.09
    morpholine 1100.11
    tert-butylamine 354.85
    n-dodecanol 94.04
    dimethoxymethane 313.33
    ethylene carbonate 336.76
    cyrene 289.14
    2-ethoxyethyl acetate 348.6
    2-ethylhexyl acetate 215.02
    1,2,4-trichlorobenzene 480.65
    4-methylpyridine 630.17
    dibutyl ether 237.41
    2,6-dimethyl-4-heptanol 118.4
    DEF 382.48
    dimethyl isosorbide 479.18
    tetrachloroethylene 707.19
    eugenol 263.6
    triacetin 326.26
    span 80 296.86
    1,4-butanediol 189.88
    1,1-dichloroethane 670.8
    2-methyl-1-pentanol 273.49
    methyl formate 280.92
    2-methyl-1-butanol 337.55
    n-decane 43.04
    butyronitrile 405.91
    3,7-dimethyl-1-octanol 195.75
    1-chlorooctane 158.19
    1-chlorotetradecane 56.76
    n-nonane 44.41
    undecane 29.55
    tert-butylcyclohexane 65.29
    cyclooctane 47.02
    cyclopentanol 515.17
    tetrahydropyran 876.08
    tert-amyl methyl ether 289.76
    2,5,8-trioxanonane 509.11
    1-hexene 224.9
    2-isopropoxyethanol 311.56
    2,2,2-trifluoroethanol 309.59
    methyl butyrate 280.88

    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