4-(Methylthio)-2-pentanone

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  • Identifiers

    CAS number
    143764-28-7

    Molecular formula
    C6H12OS

    SMILES
    CC(CC(=O)C)SC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 66.27%
    Vegetable 55.08%
    Meaty 52.48%
    Cheesy 49.57%
    Green 45.24%
    Onion 44.88%
    Potato 44.41%
    Pungent 41.14%
    Earthy 40.33%
    Fatty 38.63%

     

    Flavor
    Sulfurous 53.33%
    Green 43.98%
    Vegetable 42.78%
    Sulfury 42.77%
    Onion 40.86%
    Earthy 37.82%
    Tomato 36.77%
    Tropical 35.74%
    Meaty 34.25%
    Garlic 32.96%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    6.93 (neutral)

    Molecular weight
    132.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    189°C

    Flash point

    • 55.18 ˚C est.

    Solubility expt.

    • Slightly soluble
    • Soluble (in ethanol)

  • Synonyms

    • 4-(Methylthio)-2-pentanone
    • 143764-28-7
    • 2-Pentanone, 4-(methylthio)-
    • 4-methylsulfanylpentan-2-one
    • FEMA No. 4182
    • UNII-V3J5V0HD9K
    • V3J5V0HD9K
    • 4-(Methylthio)-2-pentanone [FHFI]
    • 2-Pentanone, 4-(methylthio)- (9CI)
    • 4-(methylsulfanyl)pentan-2-one
    • 4-(methyl thio)-2-pentanone
    • 4-methylsulanylpentan-2-one
    • 4-(methylthio)pentan-2-one
    • SCHEMBL401783
    • DTXSID70932086
    • CHEBI:173353
    • AKOS013569618
    • DB-270664
    • NS00124423
    • Q27291494
    • 639-046-7

  • Applications

    4-(Methylthio)-2-pentanone (CAS 143764-28-7) is primarily used as an organic synthesis intermediate to build sulfur-containing ketone frameworks relevant to fragrance chemistry; it is often evaluated for fragrance and flavor applications as an odor-active precursor and may serve as an intermediate in cosmetics/personal care product formulations where aroma performance is important; in industrial manufacturing and the polymers/plastics sector, it can function as a precursor for the synthesis of functional materials and plastics; its specific use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1162.28
    methanol 1452.34
    isopropanol 1070.65
    water 23.26
    ethyl acetate 677.64
    n-propanol 980.06
    acetone 1146.64
    n-butanol 814.06
    acetonitrile 870.08
    DMF 1077.38
    toluene 468.5
    isobutanol 727.03
    1,4-dioxane 1277.51
    methyl acetate 735.4
    THF 1356.19
    2-butanone 888.38
    n-pentanol 514.85
    sec-butanol 905.47
    n-hexane 182.88
    ethylene glycol 482.99
    NMP 1014.88
    cyclohexane 242.94
    DMSO 860.62
    n-butyl acetate 427.89
    n-octanol 438.73
    chloroform 2092.11
    n-propyl acetate 318.68
    acetic acid 848.93
    dichloromethane 1260.49
    cyclohexanone 1223.55
    propylene glycol 716.61
    isopropyl acetate 393.87
    DMAc 883.49
    2-ethoxyethanol 673.25
    isopentanol 604.09
    n-heptane 138.18
    ethyl formate 397.36
    1,2-dichloroethane 718.99
    n-hexanol 825.9
    2-methoxyethanol 1196.28
    isobutyl acetate 237.71
    tetrachloromethane 451.99
    n-pentyl acetate 340.17
    transcutol 1538.57
    n-heptanol 369.93
    ethylbenzene 230.16
    MIBK 415.46
    2-propoxyethanol 1061.77
    tert-butanol 1065.71
    MTBE 688.62
    2-butoxyethanol 534.35
    propionic acid 823.97
    o-xylene 329.38
    formic acid 328.27
    diethyl ether 702.17
    m-xylene 371.42
    p-xylene 306.47
    chlorobenzene 549.17
    dimethyl carbonate 198.6
    n-octane 55.48
    formamide 276.37
    cyclopentanone 1213.43
    2-pentanone 709.33
    anisole 436.09
    cyclopentyl methyl ether 810.54
    gamma-butyrolactone 1040.4
    1-methoxy-2-propanol 1019.4
    pyridine 842.24
    3-pentanone 529.47
    furfural 997.02
    n-dodecane 45.96
    diethylene glycol 830.81
    diisopropyl ether 216.93
    tert-amyl alcohol 828.61
    acetylacetone 710.98
    n-hexadecane 52.18
    acetophenone 386.31
    methyl propionate 532.29
    isopentyl acetate 364.41
    trichloroethylene 1383.17
    n-nonanol 335.51
    cyclohexanol 924.53
    benzyl alcohol 408.03
    2-ethylhexanol 410.5
    isooctanol 273.9
    dipropyl ether 353.87
    1,2-dichlorobenzene 461.48
    ethyl lactate 241.28
    propylene carbonate 558.2
    n-methylformamide 581.31
    2-pentanol 606.82
    n-pentane 161.84
    1-propoxy-2-propanol 725.31
    1-methoxy-2-propyl acetate 475.79
    2-(2-methoxypropoxy) propanol 435.31
    mesitylene 237.22
    ε-caprolactone 880.5
    p-cymene 176.07
    epichlorohydrin 1016.56
    1,1,1-trichloroethane 995.84
    2-aminoethanol 756.82
    morpholine-4-carbaldehyde 1070.66
    sulfolane 1113.8
    2,2,4-trimethylpentane 76.53
    2-methyltetrahydrofuran 1124.24
    n-hexyl acetate 578.02
    isooctane 60.4
    2-(2-butoxyethoxy)ethanol 589.36
    sec-butyl acetate 248.08
    tert-butyl acetate 447.28
    decalin 109.47
    glycerin 746.95
    diglyme 947.78
    acrylic acid 643.51
    isopropyl myristate 206.32
    n-butyric acid 810.41
    acetyl acetate 414.46
    di(2-ethylhexyl) phthalate 197.89
    ethyl propionate 296.07
    nitromethane 990.08
    1,2-diethoxyethane 471.18
    benzonitrile 551.6
    trioctyl phosphate 160.76
    1-bromopropane 591.14
    gamma-valerolactone 1383.65
    n-decanol 240.07
    triethyl phosphate 152.92
    4-methyl-2-pentanol 310.57
    propionitrile 682.57
    vinylene carbonate 518.48
    1,1,2-trichlorotrifluoroethane 871.42
    DMS 357.75
    cumene 172.6
    2-octanol 289.12
    2-hexanone 443.45
    octyl acetate 267.71
    limonene 294.07
    1,2-dimethoxyethane 803.4
    ethyl orthosilicate 155.63
    tributyl phosphate 174.16
    diacetone alcohol 632.11
    N,N-dimethylaniline 292.7
    acrylonitrile 721.09
    aniline 549.44
    1,3-propanediol 824.29
    bromobenzene 535.99
    dibromomethane 971.67
    1,1,2,2-tetrachloroethane 1239.21
    2-methyl-cyclohexyl acetate 286.34
    tetrabutyl urea 230.59
    diisobutyl methanol 209.61
    2-phenylethanol 471.51
    styrene 280.5
    dioctyl adipate 263.2
    dimethyl sulfate 324.78
    ethyl butyrate 269.58
    methyl lactate 383.94
    butyl lactate 309.09
    diethyl carbonate 179.43
    propanediol butyl ether 608.61
    triethyl orthoformate 215.2
    p-tert-butyltoluene 180.59
    methyl 4-tert-butylbenzoate 369.67
    morpholine 1320.1
    tert-butylamine 660.38
    n-dodecanol 183.87
    dimethoxymethane 588.53
    ethylene carbonate 442.32
    cyrene 378.34
    2-ethoxyethyl acetate 414.57
    2-ethylhexyl acetate 294.9
    1,2,4-trichlorobenzene 567.66
    4-methylpyridine 890.38
    dibutyl ether 335.89
    2,6-dimethyl-4-heptanol 209.61
    DEF 644.01
    dimethyl isosorbide 578.53
    tetrachloroethylene 853.29
    eugenol 380.81
    triacetin 451.08
    span 80 471.83
    1,4-butanediol 372.88
    1,1-dichloroethane 1023.32
    2-methyl-1-pentanol 401.31
    methyl formate 412.74
    2-methyl-1-butanol 613.54
    n-decane 82.56
    butyronitrile 663.26
    3,7-dimethyl-1-octanol 352.57
    1-chlorooctane 266.77
    1-chlorotetradecane 104.74
    n-nonane 89.27
    undecane 58.46
    tert-butylcyclohexane 110.26
    cyclooctane 89.84
    cyclopentanol 929.5
    tetrahydropyran 1177.14
    tert-amyl methyl ether 522.79
    2,5,8-trioxanonane 606.66
    1-hexene 415.96
    2-isopropoxyethanol 489.09
    2,2,2-trifluoroethanol 343.66
    methyl butyrate 384.06

    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