cis-3,4-Dihydroxythiolane

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  • Identifiers

    CAS number
    3976-75-8

    Molecular formula
    C4H8O2S

    SMILES
    C1[C@H]([C@H](CS1)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.3%
    Meaty 37.43%
    Sulfurous 32.58%
    Fishy 28.51%
    Savory 26.57%
    Burnt 21.57%
    Roasted 20.9%
    Smoky 19.48%
    Sweet 19.23%
    Cooked 18.39%

     

    Flavor
    Sweet 48.09%
    Bitter 36.42%
    Odorless 35.57%
    Sulfurous 27.9%
    Sweet-like 26.68%
    Roasted 25.13%
    Cauliflower 24.8%
    Alkaline 23.35%
    Bouillon 22.3%
    Very slight 21.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    6.49 (neutral)

    Molecular weight
    120.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    292°C

    Flash point

    • 133.56 ˚C est.

  • Synonyms

    • cis-thiolanediol
    • Thiolanediol, cis-(+/-)-
    • cis-3,4-Dihydroxythiolane
    • 2I7KCN588V
    • 3976-75-8
    • cis-Tetrahydrothiophene-3,4-diol
    • 3,4-Thiophenediol, tetrahydro-, (3R,4S)-rel-
    • 3,4-Thiophenediol, tetrahydro-, cis-
    • UNII-2I7KCN588V
    • (3S,4R)-thiolane-3,4-diol
    • (3R,4S)-thiolane-3,4-diol
    • THIOLANEDIOL, CIS-
    • SCHEMBL3367148
    • DTXSID601019165
    • Q27254778
    • 3976-75-8

  • Applications

    cis-3,4-Dihydroxythiolane (CAS 3976-75-8) is primarily used as an organic synthesis intermediate and chiral building block in pharmaceutical and agrochemical development. It can serve as a diol polyol for polyurethane and other polymer formulations, enabling crosslinking in coatings, adhesives, and specialty plastics. The cyclic sulfur-containing motif also makes it a useful precursor in the preparation of sulfur-containing heterocycles and related ligands in catalysis or advanced materials research. Additionally, it is evaluated as a building block for specialty polymers and resin systems where stereochemistry and sulfur functionality are advantageous.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 30.41
    methanol 76.97
    isopropanol 11.93
    water 183.05
    ethyl acetate 2.54
    n-propanol 14.81
    acetone 4.9
    n-butanol 11.28
    acetonitrile 2.42
    DMF 34.55
    toluene 0.58
    isobutanol 7.53
    1,4-dioxane 8.21
    methyl acetate 2.41
    THF 19.71
    2-butanone 2.46
    n-pentanol 7.01
    sec-butanol 7.09
    n-hexane 0.29
    ethylene glycol 68.71
    NMP 47.63
    cyclohexane 0.77
    DMSO 63.07
    n-butyl acetate 3.54
    n-octanol 7.67
    chloroform 3.24
    n-propyl acetate 2.97
    acetic acid 95.91
    dichloromethane 2.04
    cyclohexanone 8.75
    propylene glycol 38.89
    isopropyl acetate 2.79
    DMAc 26.13
    2-ethoxyethanol 38.68
    isopentanol 8.21
    n-heptane 1.15
    ethyl formate 6.0
    1,2-dichloroethane 1.3
    n-hexanol 8.19
    2-methoxyethanol 70.56
    isobutyl acetate 2.29
    tetrachloromethane 1.87
    n-pentyl acetate 5.14
    transcutol 85.24
    n-heptanol 11.63
    ethylbenzene 0.58
    MIBK 3.79
    2-propoxyethanol 32.19
    tert-butanol 12.81
    MTBE 2.1
    2-butoxyethanol 37.33
    propionic acid 20.64
    o-xylene 1.02
    formic acid 219.51
    diethyl ether 1.61
    m-xylene 1.09
    p-xylene 0.86
    chlorobenzene 0.98
    dimethyl carbonate 3.57
    n-octane 0.59
    formamide 177.8
    cyclopentanone 16.69
    2-pentanone 3.09
    anisole 2.28
    cyclopentyl methyl ether 6.16
    gamma-butyrolactone 24.49
    1-methoxy-2-propanol 38.04
    pyridine 4.67
    3-pentanone 1.73
    furfural 29.99
    n-dodecane 0.47
    diethylene glycol 63.43
    diisopropyl ether 1.2
    tert-amyl alcohol 8.79
    acetylacetone 7.32
    n-hexadecane 0.49
    acetophenone 4.32
    methyl propionate 3.21
    isopentyl acetate 3.85
    trichloroethylene 3.79
    n-nonanol 7.19
    cyclohexanol 8.2
    benzyl alcohol 5.95
    2-ethylhexanol 4.99
    isooctanol 8.87
    dipropyl ether 3.37
    1,2-dichlorobenzene 1.64
    ethyl lactate 9.19
    propylene carbonate 13.41
    n-methylformamide 32.71
    2-pentanol 5.53
    n-pentane 0.41
    1-propoxy-2-propanol 22.23
    1-methoxy-2-propyl acetate 8.2
    2-(2-methoxypropoxy) propanol 26.72
    mesitylene 1.22
    ε-caprolactone 11.63
    p-cymene 1.71
    epichlorohydrin 9.64
    1,1,1-trichloroethane 1.37
    2-aminoethanol 74.23
    morpholine-4-carbaldehyde 44.78
    sulfolane 54.29
    2,2,4-trimethylpentane 0.37
    2-methyltetrahydrofuran 7.1
    n-hexyl acetate 6.08
    isooctane 0.38
    2-(2-butoxyethoxy)ethanol 37.97
    sec-butyl acetate 2.06
    tert-butyl acetate 4.97
    decalin 0.48
    glycerin 107.93
    diglyme 53.73
    acrylic acid 30.21
    isopropyl myristate 3.06
    n-butyric acid 20.79
    acetyl acetate 4.04
    di(2-ethylhexyl) phthalate 6.54
    ethyl propionate 2.28
    nitromethane 39.89
    1,2-diethoxyethane 6.17
    benzonitrile 3.13
    trioctyl phosphate 5.14
    1-bromopropane 0.6
    gamma-valerolactone 32.59
    n-decanol 5.16
    triethyl phosphate 3.84
    4-methyl-2-pentanol 4.58
    propionitrile 2.0
    vinylene carbonate 11.14
    1,1,2-trichlorotrifluoroethane 39.32
    DMS 3.82
    cumene 0.91
    2-octanol 5.9
    2-hexanone 2.67
    octyl acetate 4.21
    limonene 2.45
    1,2-dimethoxyethane 18.88
    ethyl orthosilicate 3.92
    tributyl phosphate 4.44
    diacetone alcohol 16.66
    N,N-dimethylaniline 3.51
    acrylonitrile 4.0
    aniline 3.1
    1,3-propanediol 62.64
    bromobenzene 0.66
    dibromomethane 1.31
    1,1,2,2-tetrachloroethane 3.76
    2-methyl-cyclohexyl acetate 5.78
    tetrabutyl urea 6.92
    diisobutyl methanol 4.25
    2-phenylethanol 6.98
    styrene 0.6
    dioctyl adipate 5.57
    dimethyl sulfate 9.84
    ethyl butyrate 4.04
    methyl lactate 15.2
    butyl lactate 12.92
    diethyl carbonate 2.73
    propanediol butyl ether 39.94
    triethyl orthoformate 4.81
    p-tert-butyltoluene 1.93
    methyl 4-tert-butylbenzoate 14.38
    morpholine 13.98
    tert-butylamine 5.33
    n-dodecanol 3.81
    dimethoxymethane 12.29
    ethylene carbonate 7.85
    cyrene 32.65
    2-ethoxyethyl acetate 7.74
    2-ethylhexyl acetate 2.84
    1,2,4-trichlorobenzene 2.12
    4-methylpyridine 2.63
    dibutyl ether 2.84
    2,6-dimethyl-4-heptanol 4.25
    DEF 7.14
    dimethyl isosorbide 33.42
    tetrachloroethylene 5.13
    eugenol 20.11
    triacetin 11.39
    span 80 27.98
    1,4-butanediol 27.1
    1,1-dichloroethane 0.77
    2-methyl-1-pentanol 5.17
    methyl formate 15.8
    2-methyl-1-butanol 6.92
    n-decane 0.69
    butyronitrile 2.47
    3,7-dimethyl-1-octanol 6.28
    1-chlorooctane 1.53
    1-chlorotetradecane 0.85
    n-nonane 0.63
    undecane 0.54
    tert-butylcyclohexane 0.47
    cyclooctane 0.55
    cyclopentanol 13.86
    tetrahydropyran 4.3
    tert-amyl methyl ether 2.41
    2,5,8-trioxanonane 43.53
    1-hexene 0.59
    2-isopropoxyethanol 18.53
    2,2,2-trifluoroethanol 53.96
    methyl butyrate 3.66

    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