4-Methylthiolan-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    50565-25-8

    Molecular formula
    C5H8OS

    SMILES
    CC1CSCC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 61.33%
    Roasted 60.56%
    Meaty 55.79%
    Onion 48.0%
    Alliaceous 40.95%
    Savory 39.73%
    Burnt 39.64%
    Garlic 38.39%
    Cooked 37.18%
    Nutty 34.79%

     

    Flavor
    Onion 46.52%
    Fruity 45.35%
    Garlic 39.69%
    Roasted 39.44%
    Meaty 38.26%
    Vegetable 37.8%
    Sulfur 36.71%
    Sulfurous 36.34%
    Nutty 35.96%
    Green 34.47%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    6.26 (neutral)

    Molecular weight
    116.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point

    • 73.2 ˚C est.

  • Synonyms

    • 50565-25-8
    • 4-Methylthiolan-3-one
    • DTXSID30497126
    • RefChem:525734
    • DTXCID00447936
    • 852-951-3
    • 4-Methyldihydrothiophen-3(2H)-one
    • 4-METHYLTETRAHYDROTHIOPHEN-3-ONE
    • MFCD08457830
    • SCHEMBL9019617
    • AKOS006288003
    • DS-4290
    • CS-0309330
    • EN300-175668
    • 50565-25-8

  • Applications

    4-Methylthiolan-3-one (CAS 50565-25-8) is primarily used as an organic synthesis intermediate, providing a sulfur-containing heterocyclic core for further transformations. In perfumery and cosmetics, it is commonly evaluated as an odorant and fragrance-building block, contributing sulfur notes in formulation. In household products, it may be incorporated as a fragrance component in air fresheners and cleaners. In industrial manufacturing, it serves as a building block for other sulfur-containing heterocycles used in specialty chemicals. In polymers and coatings, it can be employed as a precursor for functionalized materials or as a fragrance additive. It is also encountered as a pharmaceutical intermediate in synthetic routes to more complex compounds. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 340.58
    methanol 516.97
    isopropanol 185.24
    water 28.26
    ethyl acetate 196.55
    n-propanol 195.73
    acetone 367.46
    n-butanol 160.29
    acetonitrile 334.8
    DMF 399.68
    toluene 77.18
    isobutanol 132.94
    1,4-dioxane 371.28
    methyl acetate 272.96
    THF 328.45
    2-butanone 221.9
    n-pentanol 130.97
    sec-butanol 142.43
    n-hexane 6.8
    ethylene glycol 162.12
    NMP 336.69
    cyclohexane 11.07
    DMSO 387.25
    n-butyl acetate 141.31
    n-octanol 108.47
    chloroform 935.62
    n-propyl acetate 154.34
    acetic acid 659.91
    dichloromethane 575.38
    cyclohexanone 277.46
    propylene glycol 164.69
    isopropyl acetate 128.02
    DMAc 348.78
    2-ethoxyethanol 320.89
    isopentanol 145.15
    n-heptane 8.36
    ethyl formate 196.41
    1,2-dichloroethane 232.31
    n-hexanol 122.19
    2-methoxyethanol 427.75
    isobutyl acetate 108.1
    tetrachloromethane 139.06
    n-pentyl acetate 140.95
    transcutol 1291.83
    n-heptanol 113.53
    ethylbenzene 50.03
    MIBK 119.53
    2-propoxyethanol 272.3
    tert-butanol 187.24
    MTBE 103.0
    2-butoxyethanol 261.82
    propionic acid 301.22
    o-xylene 67.18
    formic acid 415.35
    diethyl ether 89.18
    m-xylene 66.69
    p-xylene 92.96
    chlorobenzene 200.84
    dimethyl carbonate 92.22
    n-octane 4.99
    formamide 578.97
    cyclopentanone 367.21
    2-pentanone 147.2
    anisole 191.06
    cyclopentyl methyl ether 120.1
    gamma-butyrolactone 474.73
    1-methoxy-2-propanol 272.41
    pyridine 406.13
    3-pentanone 97.19
    furfural 638.89
    n-dodecane 6.04
    diethylene glycol 282.88
    diisopropyl ether 36.02
    tert-amyl alcohol 148.58
    acetylacetone 276.66
    n-hexadecane 6.76
    acetophenone 219.0
    methyl propionate 142.79
    isopentyl acetate 134.59
    trichloroethylene 764.23
    n-nonanol 95.24
    cyclohexanol 113.44
    benzyl alcohol 208.77
    2-ethylhexanol 80.9
    isooctanol 94.86
    dipropyl ether 52.3
    1,2-dichlorobenzene 225.44
    ethyl lactate 103.46
    propylene carbonate 277.91
    n-methylformamide 333.56
    2-pentanol 101.21
    n-pentane 7.36
    1-propoxy-2-propanol 181.4
    1-methoxy-2-propyl acetate 175.91
    2-(2-methoxypropoxy) propanol 237.27
    mesitylene 46.21
    ε-caprolactone 274.71
    p-cymene 50.04
    epichlorohydrin 423.83
    1,1,1-trichloroethane 318.09
    2-aminoethanol 250.25
    morpholine-4-carbaldehyde 481.49
    sulfolane 433.56
    2,2,4-trimethylpentane 8.03
    2-methyltetrahydrofuran 201.45
    n-hexyl acetate 182.97
    isooctane 7.24
    2-(2-butoxyethoxy)ethanol 347.51
    sec-butyl acetate 101.47
    tert-butyl acetate 139.84
    decalin 11.17
    glycerin 262.02
    diglyme 609.99
    acrylic acid 363.9
    isopropyl myristate 64.68
    n-butyric acid 306.4
    acetyl acetate 196.11
    di(2-ethylhexyl) phthalate 83.97
    ethyl propionate 95.97
    nitromethane 980.77
    1,2-diethoxyethane 238.34
    benzonitrile 297.4
    trioctyl phosphate 52.65
    1-bromopropane 84.43
    gamma-valerolactone 549.78
    n-decanol 65.51
    triethyl phosphate 62.06
    4-methyl-2-pentanol 76.29
    propionitrile 167.76
    vinylene carbonate 321.53
    1,1,2-trichlorotrifluoroethane 501.96
    DMS 161.87
    cumene 49.76
    2-octanol 75.27
    2-hexanone 141.83
    octyl acetate 87.22
    limonene 59.0
    1,2-dimethoxyethane 326.86
    ethyl orthosilicate 60.71
    tributyl phosphate 65.89
    diacetone alcohol 195.45
    N,N-dimethylaniline 128.76
    acrylonitrile 309.73
    aniline 180.59
    1,3-propanediol 248.85
    bromobenzene 176.16
    dibromomethane 302.02
    1,1,2,2-tetrachloroethane 511.07
    2-methyl-cyclohexyl acetate 112.9
    tetrabutyl urea 78.44
    diisobutyl methanol 49.92
    2-phenylethanol 180.44
    styrene 71.88
    dioctyl adipate 109.8
    dimethyl sulfate 153.38
    ethyl butyrate 110.5
    methyl lactate 123.03
    butyl lactate 133.95
    diethyl carbonate 86.11
    propanediol butyl ether 292.96
    triethyl orthoformate 88.24
    p-tert-butyltoluene 44.94
    methyl 4-tert-butylbenzoate 184.15
    morpholine 339.54
    tert-butylamine 98.87
    n-dodecanol 47.09
    dimethoxymethane 195.12
    ethylene carbonate 218.61
    cyrene 204.99
    2-ethoxyethyl acetate 244.64
    2-ethylhexyl acetate 102.57
    1,2,4-trichlorobenzene 273.7
    4-methylpyridine 316.91
    dibutyl ether 81.27
    2,6-dimethyl-4-heptanol 49.92
    DEF 160.35
    dimethyl isosorbide 301.15
    tetrachloroethylene 413.2
    eugenol 217.21
    triacetin 246.8
    span 80 199.65
    1,4-butanediol 137.34
    1,1-dichloroethane 275.21
    2-methyl-1-pentanol 120.54
    methyl formate 266.9
    2-methyl-1-butanol 125.12
    n-decane 9.36
    butyronitrile 173.75
    3,7-dimethyl-1-octanol 101.09
    1-chlorooctane 48.53
    1-chlorotetradecane 19.28
    n-nonane 8.04
    undecane 7.22
    tert-butylcyclohexane 12.59
    cyclooctane 4.58
    cyclopentanol 142.68
    tetrahydropyran 171.37
    tert-amyl methyl ether 79.0
    2,5,8-trioxanonane 405.43
    1-hexene 30.44
    2-isopropoxyethanol 216.51
    2,2,2-trifluoroethanol 311.73
    methyl butyrate 148.03

    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