1,2-Dithiolane, 4-methyl

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  • Identifiers

    CAS number
    5337-68-8

    Molecular formula
    C4H8S2

    SMILES
    CC1CSSC1

  • Odor profile

    Fragrance
    Sulfurous 80.94%
    Onion 57.25%
    Garlic 54.74%
    Alliaceous 49.64%
    Meaty 48.14%
    Roasted 41.97%
    Savory 36.43%
    Cooked 35.01%
    Vegetable 28.12%
    Mushroom 27.1%

     

    Flavor
    Sulfurous 59.58%
    Onion 42.34%
    Alliaceous 39.44%
    Roasted 37.95%
    Garlic 35.15%
    Meaty 33.53%
    Vegetable 30.17%
    Sulfur 29.32%
    Fishy 29.07%
    Savory 28.51%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    3.82 (weak acid)

    Molecular weight
    120.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    176°C

    Flash point

    • 55.67 ˚C est.

  • Synonyms

    • 1,2-Dithiolane, 4-methyl
    • 4-METHYL-1,2-DITHIOLANE
    • 5337-68-8
    • NSC-817
    • NSC817
    • SPC6JQ49RC
    • 1,2-Dithiolane, 4-methyl-
    • SCHEMBL1981828
    • DTXSID60968011
    • DAOKINZLHVIYQX-UHFFFAOYSA-N

  • Applications

    1,2-Dithiolane, 4-methyl (CAS 5337-68-8) is a sulfur-containing cyclic compound primarily used as an organic synthesis intermediate and a building block for sulfur-containing molecules. It can function as a carbonyl-protecting group via thioacetal formation in specialized synthetic sequences. Additionally, it may serve as a precursor for pharmaceutical-related compounds and can act as a ligand or precursor in metal-catalyzed reactions. In polymer science and materials, it may be used as a building block for sulfur-containing polymers or related materials. These applications reflect its role as an intermediate and building block in product development workflows.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 338.0
    methanol 244.9
    isopropanol 285.15
    water 0.83
    ethyl acetate 655.76
    n-propanol 311.86
    acetone 1011.02
    n-butanol 340.94
    acetonitrile 460.3
    DMF 555.2
    toluene 597.43
    isobutanol 245.67
    1,4-dioxane 1118.3
    methyl acetate 565.97
    THF 1490.38
    2-butanone 761.1
    n-pentanol 227.37
    sec-butanol 276.47
    n-hexane 88.39
    ethylene glycol 87.02
    NMP 698.77
    cyclohexane 293.36
    DMSO 694.11
    n-butyl acetate 732.6
    n-octanol 271.64
    chloroform 1442.66
    n-propyl acetate 383.62
    acetic acid 456.35
    dichloromethane 1001.18
    cyclohexanone 1244.67
    propylene glycol 146.82
    isopropyl acetate 441.98
    DMAc 471.74
    2-ethoxyethanol 340.22
    isopentanol 281.96
    n-heptane 205.18
    ethyl formate 334.83
    1,2-dichloroethane 633.28
    n-hexanol 461.84
    2-methoxyethanol 493.98
    isobutyl acetate 282.5
    tetrachloromethane 317.05
    n-pentyl acetate 382.16
    transcutol 1524.96
    n-heptanol 241.33
    ethylbenzene 216.28
    MIBK 416.54
    2-propoxyethanol 637.86
    tert-butanol 367.66
    MTBE 431.15
    2-butoxyethanol 379.54
    propionic acid 341.06
    o-xylene 330.28
    formic acid 85.47
    diethyl ether 542.4
    m-xylene 374.44
    p-xylene 278.72
    chlorobenzene 663.11
    dimethyl carbonate 229.14
    n-octane 64.1
    formamide 129.68
    cyclopentanone 1278.41
    2-pentanone 711.87
    anisole 444.72
    cyclopentyl methyl ether 762.62
    gamma-butyrolactone 1066.63
    1-methoxy-2-propanol 479.81
    pyridine 960.15
    3-pentanone 551.16
    furfural 935.17
    n-dodecane 50.24
    diethylene glycol 417.28
    diisopropyl ether 239.41
    tert-amyl alcohol 299.26
    acetylacetone 755.27
    n-hexadecane 60.04
    acetophenone 413.15
    methyl propionate 467.58
    isopentyl acetate 561.92
    trichloroethylene 1269.81
    n-nonanol 241.83
    cyclohexanol 498.08
    benzyl alcohol 296.28
    2-ethylhexanol 343.33
    isooctanol 190.27
    dipropyl ether 576.0
    1,2-dichlorobenzene 546.95
    ethyl lactate 189.82
    propylene carbonate 635.73
    n-methylformamide 258.36
    2-pentanol 283.15
    n-pentane 117.63
    1-propoxy-2-propanol 599.64
    1-methoxy-2-propyl acetate 677.63
    2-(2-methoxypropoxy) propanol 398.56
    mesitylene 256.3
    ε-caprolactone 860.38
    p-cymene 249.7
    epichlorohydrin 965.03
    1,1,1-trichloroethane 839.0
    2-aminoethanol 154.49
    morpholine-4-carbaldehyde 789.21
    sulfolane 1057.62
    2,2,4-trimethylpentane 64.5
    2-methyltetrahydrofuran 972.47
    n-hexyl acetate 512.17
    isooctane 60.98
    2-(2-butoxyethoxy)ethanol 528.97
    sec-butyl acetate 293.25
    tert-butyl acetate 508.37
    decalin 98.92
    glycerin 205.98
    diglyme 987.5
    acrylic acid 304.6
    isopropyl myristate 239.7
    n-butyric acid 538.96
    acetyl acetate 498.57
    di(2-ethylhexyl) phthalate 181.39
    ethyl propionate 327.57
    nitromethane 682.56
    1,2-diethoxyethane 702.46
    benzonitrile 470.12
    trioctyl phosphate 143.18
    1-bromopropane 482.76
    gamma-valerolactone 1287.27
    n-decanol 183.42
    triethyl phosphate 206.13
    4-methyl-2-pentanol 184.62
    propionitrile 396.09
    vinylene carbonate 568.16
    1,1,2-trichlorotrifluoroethane 651.1
    DMS 361.39
    cumene 150.16
    2-octanol 178.02
    2-hexanone 427.91
    octyl acetate 286.99
    limonene 408.61
    1,2-dimethoxyethane 568.95
    ethyl orthosilicate 205.0
    tributyl phosphate 180.22
    diacetone alcohol 477.06
    N,N-dimethylaniline 257.57
    acrylonitrile 433.29
    aniline 504.63
    1,3-propanediol 248.22
    bromobenzene 744.3
    dibromomethane 772.44
    1,1,2,2-tetrachloroethane 939.95
    2-methyl-cyclohexyl acetate 371.43
    tetrabutyl urea 229.72
    diisobutyl methanol 237.2
    2-phenylethanol 408.0
    styrene 297.06
    dioctyl adipate 294.22
    dimethyl sulfate 301.5
    ethyl butyrate 480.74
    methyl lactate 243.55
    butyl lactate 297.42
    diethyl carbonate 300.14
    propanediol butyl ether 402.08
    triethyl orthoformate 369.43
    p-tert-butyltoluene 257.79
    methyl 4-tert-butylbenzoate 369.17
    morpholine 974.21
    tert-butylamine 260.95
    n-dodecanol 150.0
    dimethoxymethane 490.27
    ethylene carbonate 508.06
    cyrene 340.58
    2-ethoxyethyl acetate 532.5
    2-ethylhexyl acetate 472.84
    1,2,4-trichlorobenzene 637.1
    4-methylpyridine 834.47
    dibutyl ether 407.88
    2,6-dimethyl-4-heptanol 237.2
    DEF 520.08
    dimethyl isosorbide 666.22
    tetrachloroethylene 657.88
    eugenol 322.8
    triacetin 511.23
    span 80 420.19
    1,4-butanediol 119.0
    1,1-dichloroethane 721.61
    2-methyl-1-pentanol 197.99
    methyl formate 244.59
    2-methyl-1-butanol 260.11
    n-decane 83.93
    butyronitrile 433.23
    3,7-dimethyl-1-octanol 262.34
    1-chlorooctane 236.58
    1-chlorotetradecane 109.5
    n-nonane 88.42
    undecane 62.31
    tert-butylcyclohexane 83.38
    cyclooctane 127.1
    cyclopentanol 471.65
    tetrahydropyran 1116.06
    tert-amyl methyl ether 356.0
    2,5,8-trioxanonane 659.43
    1-hexene 224.84
    2-isopropoxyethanol 294.74
    2,2,2-trifluoroethanol 184.93
    methyl butyrate 393.16

    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