3-Sulfanyloxolan-2-one

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  • Identifiers

    CAS number
    14032-62-3

    Molecular formula
    C4H6O2S

    SMILES
    C1COC(=O)C1S

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 64.21%
    Meaty 61.16%
    Roasted 57.52%
    Burnt 41.35%
    Savory 39.75%
    Caramellic 31.69%
    Cooked 31.23%
    Onion 29.81%
    Beefy 27.26%
    Odorless 26.08%

     

    Flavor
    Bitter 37.04%
    Sweet 34.46%
    Caramel 31.21%
    Bread 28.56%
    Fatty 26.35%
    Buttery 25.15%
    Coconut 23.52%
    Nutty 23.28%
    Cauliflower 22.97%
    Fenugreek 22.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    7.18 (neutral)

    Molecular weight
    118.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    257°C

    Flash point

    • 82.34 ˚C est.

  • Synonyms

    • 3-sulfanyloxolan-2-one
    • DTXSID50930762
    • RefChem:505306
    • DTXCID101359485
    • 690-914-1
    • 14032-62-3
    • butyrolactonethiol
    • 3-mercaptodihydrofuran-2(3H)-one
    • 2(3H)-Furanone, dihydro-3-mercapto-
    • W1N413MV5E
    • C4H6O2S
    • UNII-W1N413MV5E
    • Butyric acid, 4-hydroxy-2-mercapto-, gamma-lactone
    • SPIERA
    • 3-MERCAPTOTETRAHYDROFURAN-2-ONE
    • 3-Mercapto-4,5-dihydrofuran-2(3H)-one
    • SCHEMBL874698
    • 3-mercapto-dihydrofuran-2-one
    • SCHEMBL5253067
    • alpha-Mercapto-gamma-butyrolactone
    • PAA03262
    • NS00125441
    • (+/-)-3-MERCAPTOTETRAHYDROFURAN-2-ONE
    • .ALPHA.-MERCAPTO-.GAMMA.-BUTYROLACTONE
    • EN300-251553
    • 3-MERCAPTOTETRAHYDROFURAN-2-ONE, (+/-)-
    • Butyric acid, 4-hydroxy-2-mercapto-, .gamma.-lactone
    • Q27292193
    • 14032-62-3

  • Applications

    3-Sulfanyloxolan-2-one, CAS 14032-62-3, is mainly used as an organic synthesis intermediate to introduce thiol functionality. In industrial manufacturing, it serves as a building block for sulfur-containing monomers and sulfur-containing heterocycles in polymers, enabling crosslinking and functionalization of plastics and coatings. It is also evaluated as a precursor for fragrance and cosmetic compounds, and studied as an intermediate for pharmaceutical and agrochemical development to access sulfur-containing heterocycles. Additionally, it supports surface modification and electronics-related materials through thiol-based attachment chemistries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 138.41
    methanol 370.8
    isopropanol 66.48
    water 185.36
    ethyl acetate 24.56
    n-propanol 60.79
    acetone 82.78
    n-butanol 51.19
    acetonitrile 68.55
    DMF 287.65
    toluene 5.36
    isobutanol 45.19
    1,4-dioxane 60.32
    methyl acetate 53.67
    THF 58.27
    2-butanone 38.33
    n-pentanol 45.2
    sec-butanol 44.64
    n-hexane 0.84
    ethylene glycol 112.53
    NMP 161.47
    cyclohexane 0.84
    DMSO 226.94
    n-butyl acetate 12.56
    n-octanol 21.61
    chloroform 51.69
    n-propyl acetate 20.06
    acetic acid 315.51
    dichloromethane 52.78
    cyclohexanone 41.54
    propylene glycol 66.9
    isopropyl acetate 18.07
    DMAc 228.56
    2-ethoxyethanol 159.29
    isopentanol 51.3
    n-heptane 0.86
    ethyl formate 48.71
    1,2-dichloroethane 26.48
    n-hexanol 20.54
    2-methoxyethanol 227.48
    isobutyl acetate 13.66
    tetrachloromethane 11.78
    n-pentyl acetate 21.17
    transcutol 327.3
    n-heptanol 22.74
    ethylbenzene 5.13
    MIBK 25.31
    2-propoxyethanol 67.64
    tert-butanol 70.22
    MTBE 23.8
    2-butoxyethanol 74.54
    propionic acid 81.16
    o-xylene 8.39
    formic acid 424.05
    diethyl ether 14.88
    m-xylene 6.6
    p-xylene 9.38
    chlorobenzene 12.15
    dimethyl carbonate 26.03
    n-octane 0.69
    formamide 603.27
    cyclopentanone 61.25
    2-pentanone 25.66
    anisole 28.99
    cyclopentyl methyl ether 17.5
    gamma-butyrolactone 89.28
    1-methoxy-2-propanol 116.57
    pyridine 50.94
    3-pentanone 16.54
    furfural 153.6
    n-dodecane 0.92
    diethylene glycol 107.66
    diisopropyl ether 5.68
    tert-amyl alcohol 57.7
    acetylacetone 51.15
    n-hexadecane 0.98
    acetophenone 43.95
    methyl propionate 27.35
    isopentyl acetate 15.92
    trichloroethylene 69.98
    n-nonanol 19.98
    cyclohexanol 21.72
    benzyl alcohol 49.63
    2-ethylhexanol 12.64
    isooctanol 20.12
    dipropyl ether 6.73
    1,2-dichlorobenzene 16.71
    ethyl lactate 25.93
    propylene carbonate 46.21
    n-methylformamide 191.68
    2-pentanol 28.1
    n-pentane 0.99
    1-propoxy-2-propanol 36.14
    1-methoxy-2-propyl acetate 24.55
    2-(2-methoxypropoxy) propanol 74.75
    mesitylene 5.29
    ε-caprolactone 46.12
    p-cymene 5.62
    epichlorohydrin 79.01
    1,1,1-trichloroethane 21.66
    2-aminoethanol 149.29
    morpholine-4-carbaldehyde 183.38
    sulfolane 115.29
    2,2,4-trimethylpentane 1.38
    2-methyltetrahydrofuran 33.3
    n-hexyl acetate 28.51
    isooctane 0.97
    2-(2-butoxyethoxy)ethanol 103.8
    sec-butyl acetate 13.64
    tert-butyl acetate 23.84
    decalin 1.09
    glycerin 140.44
    diglyme 178.39
    acrylic acid 114.0
    isopropyl myristate 11.74
    n-butyric acid 67.03
    acetyl acetate 28.29
    di(2-ethylhexyl) phthalate 23.32
    ethyl propionate 14.54
    nitromethane 370.03
    1,2-diethoxyethane 37.2
    benzonitrile 37.87
    trioctyl phosphate 14.23
    1-bromopropane 7.81
    gamma-valerolactone 123.51
    n-decanol 14.17
    triethyl phosphate 11.69
    4-methyl-2-pentanol 22.83
    propionitrile 28.54
    vinylene carbonate 55.27
    1,1,2-trichlorotrifluoroethane 124.02
    DMS 29.02
    cumene 6.27
    2-octanol 15.15
    2-hexanone 23.27
    octyl acetate 16.97
    limonene 6.45
    1,2-dimethoxyethane 123.29
    ethyl orthosilicate 10.84
    tributyl phosphate 15.43
    diacetone alcohol 63.37
    N,N-dimethylaniline 29.23
    acrylonitrile 59.62
    aniline 26.12
    1,3-propanediol 128.74
    bromobenzene 8.51
    dibromomethane 22.88
    1,1,2,2-tetrachloroethane 47.42
    2-methyl-cyclohexyl acetate 17.82
    tetrabutyl urea 23.11
    diisobutyl methanol 9.63
    2-phenylethanol 30.54
    styrene 6.43
    dioctyl adipate 23.26
    dimethyl sulfate 56.78
    ethyl butyrate 12.24
    methyl lactate 43.56
    butyl lactate 30.94
    diethyl carbonate 10.6
    propanediol butyl ether 91.05
    triethyl orthoformate 11.35
    p-tert-butyltoluene 5.38
    methyl 4-tert-butylbenzoate 49.42
    morpholine 73.87
    tert-butylamine 29.46
    n-dodecanol 10.36
    dimethoxymethane 78.0
    ethylene carbonate 34.84
    cyrene 77.22
    2-ethoxyethyl acetate 41.19
    2-ethylhexyl acetate 11.05
    1,2,4-trichlorobenzene 25.39
    4-methylpyridine 44.9
    dibutyl ether 11.32
    2,6-dimethyl-4-heptanol 9.63
    DEF 55.76
    dimethyl isosorbide 80.45
    tetrachloroethylene 45.4
    eugenol 62.08
    triacetin 51.32
    span 80 54.73
    1,4-butanediol 77.58
    1,1-dichloroethane 19.17
    2-methyl-1-pentanol 47.95
    methyl formate 125.77
    2-methyl-1-butanol 45.14
    n-decane 1.29
    butyronitrile 27.83
    3,7-dimethyl-1-octanol 22.26
    1-chlorooctane 5.7
    1-chlorotetradecane 2.77
    n-nonane 1.03
    undecane 1.06
    tert-butylcyclohexane 1.29
    cyclooctane 0.49
    cyclopentanol 31.1
    tetrahydropyran 18.68
    tert-amyl methyl ether 20.53
    2,5,8-trioxanonane 129.85
    1-hexene 3.44
    2-isopropoxyethanol 88.49
    2,2,2-trifluoroethanol 165.89
    methyl butyrate 26.74

    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