4-(Methylthio)-2-butanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    34047-39-7

    Molecular formula
    C5H10OS

    SMILES
    CC(=O)CCSC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sulfurous 73.4%
    Vegetable 67.43%
    Cheesy 59.09%
    Sweet 57.45%
    Onion 55.67%
    Potato 54.97%
    Cabbage 53.43%
    Meaty 52.69%
    Garlic 50.23%
    Metallic 48.56%

    Scent© AI

  • Properties

    XLogP3-AA
    0.5

    Molecular weight
    118.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 105.00 to 107.00 °C. @ 55.00 mm Hg

    Flash point est.
    52.18 ˚C

    Solubility expt.

    • insoluble in water

  • Synonyms

    • 4-Methylthio-2-butanone
    • 34047-39-7
    • 4-(Methylthio)-2-butanone
    • 2-Butanone, 4-(methylthio)-
    • 4-methylsulfanylbutan-2-one
    • 4-(methylsulfanyl)butan-2-one
    • potato butanone
    • 4-(Methylthio)butan-2-one
    • FEMA No. 3375
    • UNII-5703W1O1AB
    • 5703W1O1AB
    • EINECS 251-810-8
    • DTXSID4067808
    • FEMA 3375
    • 4-(Methylthio)-2-butanone, 8CI
    • MFCD00040029
    • methylmercaptobutane-3-one
    • 4-methylsulanylbutan-2-one
    • SCHEMBL309977
    • 4-(Methylsulphanyl)butan-2-one
    • DTXCID7038783
    • CHEBI:173440
    • AKOS009158239
    • 4-METHYLTHIO-2-BUTANONE [FHFI]
    • 4-Methylthio-2-butanone, >=97%, FG
    • BS-23267
    • DB-003509
    • CS-0206726
    • M2031
    • NS00022071
    • D91573
    • EN300-1260955
    • Q27261445
    • F0001-0996

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 832.91
    methanol 1167.76
    isopropanol 757.46
    water 31.27
    ethyl acetate 345.21
    n-propanol 688.88
    acetone 764.15
    n-butanol 568.47
    acetonitrile 561.42
    DMF 1119.14
    toluene 239.28
    isobutanol 519.74
    1,4-dioxane 688.64
    methyl acetate 481.39
    THF 747.43
    2-butanone 583.57
    n-pentanol 369.48
    sec-butanol 611.88
    n-hexane 100.82
    ethylene glycol 486.2
    NMP 721.82
    cyclohexane 124.35
    DMSO 814.16
    n-butyl acetate 227.1
    n-octanol 279.88
    chloroform 1243.75
    n-propyl acetate 192.93
    acetic acid 569.68
    dichloromethane 785.61
    cyclohexanone 674.12
    propylene glycol 633.74
    isopropyl acetate 205.61
    DMAc 795.74
    2-ethoxyethanol 525.66
    isopentanol 403.57
    n-heptane 78.22
    ethyl formate 278.54
    1,2-dichloroethane 431.74
    n-hexanol 470.77
    2-methoxyethanol 995.7
    isobutyl acetate 148.72
    tetrachloromethane 258.51
    n-pentyl acetate 199.9
    transcutol 1079.1
    n-heptanol 251.48
    ethylbenzene 143.91
    MIBK 260.95
    2-propoxyethanol 668.98
    tert-butanol 672.74
    MTBE 370.95
    2-butoxyethanol 388.12
    propionic acid 571.84
    o-xylene 196.95
    formic acid 279.53
    diethyl ether 349.32
    m-xylene 195.68
    p-xylene 194.06
    chlorobenzene 300.12
    dimethyl carbonate 151.46
    n-octane 36.96
    formamide 257.69
    cyclopentanone 755.16
    2-pentanone 413.49
    anisole 294.55
    cyclopentyl methyl ether 408.98
    gamma-butyrolactone 646.75
    1-methoxy-2-propanol 797.57
    pyridine 563.26
    3-pentanone 323.58
    furfural 681.75
    n-dodecane 32.47
    diethylene glycol 612.9
    diisopropyl ether 108.06
    tert-amyl alcohol 525.34
    acetylacetone 438.83
    n-hexadecane 35.95
    acetophenone 279.26
    methyl propionate 341.01
    isopentyl acetate 211.27
    trichloroethylene 871.22
    n-nonanol 226.87
    cyclohexanol 515.61
    benzyl alcohol 304.14
    2-ethylhexanol 244.88
    isooctanol 185.09
    dipropyl ether 200.48
    1,2-dichlorobenzene 294.17
    ethyl lactate 183.9
    propylene carbonate 347.27
    n-methylformamide 517.56
    2-pentanol 388.44
    n-pentane 88.34
    1-propoxy-2-propanol 489.76
    1-methoxy-2-propyl acetate 280.23
    2-(2-methoxypropoxy) propanol 342.81
    mesitylene 132.74
    ε-caprolactone 477.29
    p-cymene 113.57
    epichlorohydrin 604.39
    1,1,1-trichloroethane 550.45
    2-aminoethanol 670.75
    morpholine-4-carbaldehyde 811.47
    sulfolane 759.42
    2,2,4-trimethylpentane 43.74
    2-methyltetrahydrofuran 582.34
    n-hexyl acetate 323.68
    isooctane 36.06
    2-(2-butoxyethoxy)ethanol 454.38
    sec-butyl acetate 144.31
    tert-butyl acetate 242.24
    decalin 62.22
    glycerin 744.43
    diglyme 706.05
    acrylic acid 532.29
    isopropyl myristate 132.59
    n-butyric acid 510.75
    acetyl acetate 226.48
    di(2-ethylhexyl) phthalate 144.34
    ethyl propionate 188.33
    nitromethane 660.89
    1,2-diethoxyethane 300.49
    benzonitrile 377.93
    trioctyl phosphate 114.95
    1-bromopropane 341.74
    gamma-valerolactone 859.52
    n-decanol 164.75
    triethyl phosphate 106.06
    4-methyl-2-pentanol 205.8
    propionitrile 467.9
    vinylene carbonate 359.5
    1,1,2-trichlorotrifluoroethane 637.71
    DMS 248.1
    cumene 113.73
    2-octanol 187.53
    2-hexanone 288.55
    octyl acetate 170.55
    limonene 172.88
    1,2-dimethoxyethane 604.22
    ethyl orthosilicate 104.63
    tributyl phosphate 123.67
    diacetone alcohol 413.16
    N,N-dimethylaniline 212.67
    acrylonitrile 551.44
    aniline 342.54
    1,3-propanediol 666.74
    bromobenzene 294.89
    dibromomethane 586.94
    1,1,2,2-tetrachloroethane 763.46
    2-methyl-cyclohexyl acetate 175.81
    tetrabutyl urea 172.0
    diisobutyl methanol 140.56
    2-phenylethanol 293.05
    styrene 183.11
    dioctyl adipate 185.83
    dimethyl sulfate 261.6
    ethyl butyrate 168.82
    methyl lactate 309.49
    butyl lactate 220.77
    diethyl carbonate 121.48
    propanediol butyl ether 505.1
    triethyl orthoformate 135.49
    p-tert-butyltoluene 115.98
    methyl 4-tert-butylbenzoate 282.01
    morpholine 773.0
    tert-butylamine 398.98
    n-dodecanol 129.01
    dimethoxymethane 445.19
    ethylene carbonate 267.71
    cyrene 296.37
    2-ethoxyethyl acetate 262.53
    2-ethylhexyl acetate 168.44
    1,2,4-trichlorobenzene 352.78
    4-methylpyridine 543.41
    dibutyl ether 208.22
    2,6-dimethyl-4-heptanol 140.56
    DEF 440.26
    dimethyl isosorbide 398.49
    tetrachloroethylene 559.45
    eugenol 297.49
    triacetin 323.74
    span 80 356.7
    1,4-butanediol 328.4
    1,1-dichloroethane 577.76
    2-methyl-1-pentanol 281.8
    methyl formate 350.79
    2-methyl-1-butanol 429.65
    n-decane 53.26
    butyronitrile 418.58
    3,7-dimethyl-1-octanol 237.54
    1-chlorooctane 156.4
    1-chlorotetradecane 67.48
    n-nonane 56.38
    undecane 39.93
    tert-butylcyclohexane 66.59
    cyclooctane 46.46
    cyclopentanol 587.63
    tetrahydropyran 583.33
    tert-amyl methyl ether 284.81
    2,5,8-trioxanonane 496.07
    1-hexene 238.68
    2-isopropoxyethanol 364.75
    2,2,2-trifluoroethanol 237.19
    methyl butyrate 252.26

    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