4-Methyl-4-(methylthio)-2-pentanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    23550-40-5

    Molecular formula
    C7H14OS

    SMILES
    CC(=O)CC(C)(C)SC

  • Odor profile

    Fruity 83.47%
    Sulfurous 82.24%
    Tropical 73.96%
    Green 71.95%
    Black currant 49.87%
    Vegetable 49.19%
    Meaty 46.03%
    Herbal 37.96%
    Cheesy 37.39%
    Grapefruit 33.99%

    Scent© AI

  • Properties

    XLogP3-AA
    1.1

    Molecular weight
    146.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 78.00 °C. @ 15.00 mm Hg

    Flash point est.
    62.28 ˚C

  • Synonyms

    • 23550-40-5
    • 4-Methylthio-4-methyl-2-pentanone
    • 2-Pentanone, 4-methyl-4-(methylthio)-
    • 4-Methyl-4-(methylthio)-2-pentanone
    • 4-Methyl-4-Methylthio-2-Pentanone
    • 4-Methyl-4-(methylthio)pentan-2-one
    • cassis pentanone
    • 4-methyl-4-methylsulfanylpentan-2-one
    • FEMA No. 3376
    • 4-(Methylthio)-4-methyl-2-pentanone
    • 4-Methylmercapto-4-methylpentan-2-one
    • G69HK72Q3Y
    • EINECS 245-727-6
    • MFCD00049253
    • 4-methyl-4-(methylsulfanyl)pentan-2-one
    • DTXSID0066905
    • 4-METHYLTHIO-4-METHYL-2-PENTANONE [FHFI]
    • UNII-G69HK72Q3Y
    • Corps Cassis
    • SCHEMBL996119
    • DTXCID5036894
    • FEMA 3376
    • CHEBI:173384
    • DHANVOSHQILVNQ-UHFFFAOYSA-N
    • 4-methyl-4-methylsulanylpentan-2-one
    • AKOS015899811
    • 4-met hylmercapto-4-methylpentan-2-one
    • LS-13332
    • SY101078
    • DB-003510
    • CS-0199050
    • M3272
    • NS00021899
    • D95281
    • 4-Methylthio-4-methyl-2-pentanone, >=98%, FG
    • Q27278835

  • Applications

    4-Methylthio-4-methyl-2-pentanone (4-MMP) is an ultra-potent thio-ketone whose characteristic black-currant, box-tree and catty nuances make it a key ingredient in flavour and fragrance work, where it boosts tropical fruit notes in soft drinks, beers and white wines (especially Sauvignon Blanc), adds onion-garlic depth to savoury seasonings, fine-tunes roasted coffee and tea aromas, serves as a calibration standard in GC-MS quantification of volatile sulfur compounds, supports sensory research and panel training, and acts as a versatile synthon for further thiono-carbonyl derivatives in agro- and pharmaceutical chemistry; because of its immense strength it is applied only at microgram levels and always under the safety limits set by IFRA and local food regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 706.75
    methanol 976.84
    isopropanol 786.07
    water 29.99
    ethyl acetate 750.07
    n-propanol 767.59
    acetone 853.31
    n-butanol 684.94
    acetonitrile 666.44
    DMF 962.65
    toluene 624.22
    isobutanol 638.37
    1,4-dioxane 1213.92
    methyl acetate 732.13
    THF 1417.26
    2-butanone 819.26
    n-pentanol 416.33
    sec-butanol 852.7
    n-hexane 285.64
    ethylene glycol 357.0
    NMP 1025.97
    cyclohexane 400.53
    DMSO 520.27
    n-butyl acetate 551.91
    n-octanol 566.87
    chloroform 2211.6
    n-propyl acetate 369.84
    acetic acid 734.65
    dichloromethane 1231.99
    cyclohexanone 1261.18
    propylene glycol 558.88
    isopropyl acetate 514.28
    DMAc 912.49
    2-ethoxyethanol 559.62
    isopentanol 556.12
    n-heptane 276.15
    ethyl formate 409.13
    1,2-dichloroethane 702.98
    n-hexanol 974.72
    2-methoxyethanol 960.33
    isobutyl acetate 298.59
    tetrachloromethane 595.0
    n-pentyl acetate 404.65
    transcutol 1383.1
    n-heptanol 455.67
    ethylbenzene 344.55
    MIBK 487.97
    2-propoxyethanol 1131.89
    tert-butanol 1047.46
    MTBE 813.82
    2-butoxyethanol 596.81
    propionic acid 751.03
    o-xylene 463.32
    formic acid 299.68
    diethyl ether 737.12
    m-xylene 516.5
    p-xylene 459.89
    chlorobenzene 642.97
    dimethyl carbonate 285.53
    n-octane 102.84
    formamide 237.55
    cyclopentanone 1153.28
    2-pentanone 688.36
    anisole 562.76
    cyclopentyl methyl ether 1002.23
    gamma-butyrolactone 1079.9
    1-methoxy-2-propanol 925.23
    pyridine 740.17
    3-pentanone 596.46
    furfural 937.42
    n-dodecane 81.78
    diethylene glycol 799.09
    diisopropyl ether 346.3
    tert-amyl alcohol 895.53
    acetylacetone 734.26
    n-hexadecane 90.34
    acetophenone 479.63
    methyl propionate 604.52
    isopentyl acetate 483.55
    trichloroethylene 1397.54
    n-nonanol 459.11
    cyclohexanol 998.98
    benzyl alcohol 434.12
    2-ethylhexanol 557.23
    isooctanol 359.67
    dipropyl ether 529.75
    1,2-dichlorobenzene 606.75
    ethyl lactate 295.69
    propylene carbonate 669.32
    n-methylformamide 505.25
    2-pentanol 617.17
    n-pentane 261.3
    1-propoxy-2-propanol 863.44
    1-methoxy-2-propyl acetate 610.38
    2-(2-methoxypropoxy) propanol 520.71
    mesitylene 365.63
    ε-caprolactone 980.88
    p-cymene 285.6
    epichlorohydrin 1013.71
    1,1,1-trichloroethane 1208.75
    2-aminoethanol 559.75
    morpholine-4-carbaldehyde 1060.83
    sulfolane 1150.63
    2,2,4-trimethylpentane 138.55
    2-methyltetrahydrofuran 1187.72
    n-hexyl acetate 752.22
    isooctane 108.49
    2-(2-butoxyethoxy)ethanol 668.76
    sec-butyl acetate 328.94
    tert-butyl acetate 616.41
    decalin 183.38
    glycerin 662.37
    diglyme 997.42
    acrylic acid 596.42
    isopropyl myristate 293.66
    n-butyric acid 759.95
    acetyl acetate 520.05
    di(2-ethylhexyl) phthalate 254.54
    ethyl propionate 389.27
    nitromethane 874.58
    1,2-diethoxyethane 483.1
    benzonitrile 556.89
    trioctyl phosphate 210.65
    1-bromopropane 638.07
    gamma-valerolactone 1320.55
    n-decanol 331.32
    triethyl phosphate 214.93
    4-methyl-2-pentanol 381.08
    propionitrile 629.55
    vinylene carbonate 607.43
    1,1,2-trichlorotrifluoroethane 965.56
    DMS 452.73
    cumene 264.27
    2-octanol 379.45
    2-hexanone 455.65
    octyl acetate 374.9
    limonene 455.92
    1,2-dimethoxyethane 764.27
    ethyl orthosilicate 224.15
    tributyl phosphate 227.12
    diacetone alcohol 710.13
    N,N-dimethylaniline 424.27
    acrylonitrile 636.63
    aniline 586.6
    1,3-propanediol 584.0
    bromobenzene 645.96
    dibromomethane 982.62
    1,1,2,2-tetrachloroethane 1338.39
    2-methyl-cyclohexyl acetate 395.66
    tetrabutyl urea 295.71
    diisobutyl methanol 306.94
    2-phenylethanol 580.3
    styrene 370.03
    dioctyl adipate 339.94
    dimethyl sulfate 420.47
    ethyl butyrate 385.77
    methyl lactate 446.92
    butyl lactate 375.95
    diethyl carbonate 254.49
    propanediol butyl ether 663.43
    triethyl orthoformate 304.47
    p-tert-butyltoluene 306.32
    methyl 4-tert-butylbenzoate 501.66
    morpholine 1223.67
    tert-butylamine 733.78
    n-dodecanol 252.93
    dimethoxymethane 660.8
    ethylene carbonate 530.63
    cyrene 468.04
    2-ethoxyethyl acetate 448.4
    2-ethylhexyl acetate 423.37
    1,2,4-trichlorobenzene 724.69
    4-methylpyridine 874.29
    dibutyl ether 414.47
    2,6-dimethyl-4-heptanol 306.94
    DEF 667.33
    dimethyl isosorbide 735.12
    tetrachloroethylene 923.54
    eugenol 485.68
    triacetin 549.96
    span 80 567.28
    1,4-butanediol 278.44
    1,1-dichloroethane 1066.32
    2-methyl-1-pentanol 369.83
    methyl formate 393.51
    2-methyl-1-butanol 601.3
    n-decane 142.05
    butyronitrile 610.84
    3,7-dimethyl-1-octanol 472.52
    1-chlorooctane 380.87
    1-chlorotetradecane 158.52
    n-nonane 152.8
    undecane 102.54
    tert-butylcyclohexane 192.85
    cyclooctane 178.87
    cyclopentanol 849.99
    tetrahydropyran 1233.37
    tert-amyl methyl ether 697.61
    2,5,8-trioxanonane 664.91
    1-hexene 502.4
    2-isopropoxyethanol 464.72
    2,2,2-trifluoroethanol 379.07
    methyl butyrate 451.79

    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