Methylthiomethyl butyrate

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  • Identifiers

    CAS number
    74758-93-3

    Molecular formula
    C6H12O2S

    SMILES
    CCCC(=O)OCSC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 91.79%
    Sulfurous 77.48%
    Tropical 71.05%
    Cheesy 65.17%
    Pineapple 53.22%
    Vegetable 42.6%
    Sweet 42.35%
    Cabbage 39.93%
    Ripe 39.86%
    Onion 39.08%

     

    Flavor
    Fruity 81.61%
    Pineapple 62.25%
    Sweet 55.94%
    Fatty 44.13%
    Vegetable 39.86%
    Tropical 39.56%
    Sulfury 39.03%
    Fruit 38.74%
    Green 37.74%
    Ripe 37.71%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.34 (neutral)

    Molecular weight
    148.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 182.00 to 183.00 °C. @ 760.00 mm Hg

    Flash point

    • 64.4 ˚C est.

    Solubility expt.

    • very slightly
    • very slightly soluble in water; soluble in alcohols and oils

  • Synonyms

    • Methylthiomethyl butyrate
    • 74758-93-3
    • (Methylthio)methyl butyrate
    • methylsulfanylmethyl butanoate
    • Methyl 2-methylthiobutyrate
    • methyl thiomethyl butyrate
    • 9PF86RKU3Z
    • (methylsulfanyl)methyl butanoate
    • EINECS 277-989-2
    • Butanoic acid, (methylthio)methyl ester
    • FEMA NO. 3879
    • DTXSID60868320
    • METHYLTHIOMETHYL BUTYRATE [FHFI]
    • Methylthiomethylbutyrate
    • UNII-9PF86RKU3Z
    • FEMA 3879
    • (Methylthio)methylbutyrate
    • methylsulanylmethyl butanoate
    • SCHEMBL3506007
    • DTXCID00816441
    • CHEBI:193665
    • LMFA07010968
    • AKOS006293102
    • DB-003729
    • NS00059079
    • Q27272866
    • 277-989-2

  • Applications

    Methylthiomethyl butyrate (CAS 74758-93-3) is primarily used as a fragrance-related intermediate and odorant in perfumery and cosmetics, serving as a building block for more complex aroma compounds and contributing sulfur-containing notes. It may also be employed in household products as a fragrance component, and in industrial manufacturing as a chemical intermediate for the synthesis of additional aroma chemicals. In coatings or inks formulations, it can be added as a fragrance additive or processing aid, and it may function as a solvent or formulation constituent within fragrance inventories, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2753.3
    methanol 4211.1
    isopropanol 2181.58
    water 17.57
    ethyl acetate 762.15
    n-propanol 1957.02
    acetone 2122.77
    n-butanol 1640.99
    acetonitrile 1691.27
    DMF 2788.48
    toluene 518.29
    isobutanol 1486.22
    1,4-dioxane 1902.0
    methyl acetate 945.92
    THF 2003.64
    2-butanone 1271.59
    n-pentanol 1387.12
    sec-butanol 1695.77
    n-hexane 270.24
    ethylene glycol 808.54
    NMP 1970.62
    cyclohexane 449.22
    DMSO 2512.66
    n-butyl acetate 912.39
    n-octanol 747.8
    chloroform 4013.22
    n-propyl acetate 812.17
    acetic acid 3576.6
    dichloromethane 2922.48
    cyclohexanone 1986.5
    propylene glycol 951.65
    isopropyl acetate 481.58
    DMAc 1645.75
    2-ethoxyethanol 1451.91
    isopentanol 1222.32
    n-heptane 159.35
    ethyl formate 952.61
    1,2-dichloroethane 1661.88
    n-hexanol 1133.53
    2-methoxyethanol 2236.87
    isobutyl acetate 518.65
    tetrachloromethane 543.29
    n-pentyl acetate 682.15
    transcutol 2603.88
    n-heptanol 606.85
    ethylbenzene 411.98
    MIBK 556.64
    2-propoxyethanol 1355.78
    tert-butanol 1918.75
    MTBE 1032.42
    2-butoxyethanol 914.17
    propionic acid 1534.17
    o-xylene 384.95
    formic acid 1221.36
    diethyl ether 857.55
    m-xylene 347.72
    p-xylene 600.47
    chlorobenzene 1022.25
    dimethyl carbonate 293.62
    n-octane 83.31
    formamide 1247.32
    cyclopentanone 1955.26
    2-pentanone 913.22
    anisole 749.93
    cyclopentyl methyl ether 907.08
    gamma-butyrolactone 1913.54
    1-methoxy-2-propanol 1446.86
    pyridine 1928.63
    3-pentanone 623.28
    furfural 2013.28
    n-dodecane 71.47
    diethylene glycol 1080.49
    diisopropyl ether 251.04
    tert-amyl alcohol 1507.6
    acetylacetone 853.57
    n-hexadecane 79.93
    acetophenone 816.69
    methyl propionate 620.16
    isopentyl acetate 745.96
    trichloroethylene 3346.77
    n-nonanol 586.35
    cyclohexanol 1552.18
    benzyl alcohol 935.11
    2-ethylhexanol 664.62
    isooctanol 482.13
    dipropyl ether 516.06
    1,2-dichlorobenzene 902.98
    ethyl lactate 417.15
    propylene carbonate 1075.97
    n-methylformamide 1614.54
    2-pentanol 1030.14
    n-pentane 222.91
    1-propoxy-2-propanol 988.85
    1-methoxy-2-propyl acetate 564.48
    2-(2-methoxypropoxy) propanol 666.28
    mesitylene 243.06
    ε-caprolactone 1501.6
    p-cymene 254.07
    epichlorohydrin 1756.17
    1,1,1-trichloroethane 1467.87
    2-aminoethanol 1338.18
    morpholine-4-carbaldehyde 1830.1
    sulfolane 2261.04
    2,2,4-trimethylpentane 96.38
    2-methyltetrahydrofuran 1531.48
    n-hexyl acetate 983.13
    isooctane 70.66
    2-(2-butoxyethoxy)ethanol 982.64
    sec-butyl acetate 466.47
    tert-butyl acetate 548.23
    decalin 170.57
    glycerin 1100.5
    diglyme 1737.67
    acrylic acid 1601.31
    isopropyl myristate 331.67
    n-butyric acid 1879.65
    acetyl acetate 546.34
    di(2-ethylhexyl) phthalate 334.16
    ethyl propionate 523.53
    nitromethane 2970.69
    1,2-diethoxyethane 829.34
    benzonitrile 1398.89
    trioctyl phosphate 274.53
    1-bromopropane 1104.86
    gamma-valerolactone 2246.8
    n-decanol 403.96
    triethyl phosphate 277.15
    4-methyl-2-pentanol 509.15
    propionitrile 1245.9
    vinylene carbonate 1183.29
    1,1,2-trichlorotrifluoroethane 1717.08
    DMS 492.62
    cumene 290.03
    2-octanol 505.55
    2-hexanone 1001.92
    octyl acetate 454.12
    limonene 405.67
    1,2-dimethoxyethane 2002.96
    ethyl orthosilicate 281.18
    tributyl phosphate 337.88
    diacetone alcohol 736.47
    N,N-dimethylaniline 571.82
    acrylonitrile 1606.41
    aniline 882.17
    1,3-propanediol 1517.59
    bromobenzene 967.17
    dibromomethane 2149.56
    1,1,2,2-tetrachloroethane 2663.9
    2-methyl-cyclohexyl acetate 517.09
    tetrabutyl urea 458.12
    diisobutyl methanol 349.53
    2-phenylethanol 701.85
    styrene 604.16
    dioctyl adipate 484.7
    dimethyl sulfate 475.4
    ethyl butyrate 544.58
    methyl lactate 457.44
    butyl lactate 593.24
    diethyl carbonate 401.96
    propanediol butyl ether 1060.44
    triethyl orthoformate 399.99
    p-tert-butyltoluene 228.36
    methyl 4-tert-butylbenzoate 618.77
    morpholine 2236.32
    tert-butylamine 1249.99
    n-dodecanol 300.79
    dimethoxymethane 934.78
    ethylene carbonate 921.98
    cyrene 617.4
    2-ethoxyethyl acetate 655.64
    2-ethylhexyl acetate 560.39
    1,2,4-trichlorobenzene 1032.54
    4-methylpyridine 1782.51
    dibutyl ether 665.21
    2,6-dimethyl-4-heptanol 349.53
    DEF 1124.63
    dimethyl isosorbide 851.64
    tetrachloroethylene 2002.5
    eugenol 720.14
    triacetin 722.48
    span 80 782.61
    1,4-butanediol 821.64
    1,1-dichloroethane 1850.66
    2-methyl-1-pentanol 1107.32
    methyl formate 1138.28
    2-methyl-1-butanol 1222.32
    n-decane 125.09
    butyronitrile 1544.05
    3,7-dimethyl-1-octanol 582.55
    1-chlorooctane 444.83
    1-chlorotetradecane 166.57
    n-nonane 131.78
    undecane 90.26
    tert-butylcyclohexane 146.55
    cyclooctane 110.75
    cyclopentanol 1623.92
    tetrahydropyran 1943.92
    tert-amyl methyl ether 703.18
    2,5,8-trioxanonane 1100.61
    1-hexene 865.83
    2-isopropoxyethanol 918.11
    2,2,2-trifluoroethanol 807.36
    methyl butyrate 927.56

    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