1,2-Dithiolane

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  • Identifiers

    CAS number
    557-22-2

    Molecular formula
    C3H6S2

    SMILES
    C1CSSC1

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 85.64%
    Garlic 54.29%
    Meaty 53.58%
    Onion 51.88%
    Alliaceous 50.58%
    Mushroom 46.56%
    Roasted 36.93%
    Vegetable 36.51%
    Savory 32.66%
    Cooked 32.31%

     

    Flavor
    Sulfurous 52.74%
    Alliaceous 45.51%
    Garlic 44.74%
    Onion 44.05%
    Fishy 37.5%
    Roasted 35.47%
    Solvent 30.35%
    Sulfur 30.23%
    Ammoniacal 29.1%
    Savory 28.88%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    3.81 (weak acid)

    Molecular weight
    106.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    167°C

    Flash point

    • 38.39 ˚C est.

  • Synonyms

    • 1,2-Dithiolane
    • 1,2-Dithiacyclopentane
    • 557-22-2
    • 6DE8XWQ974
    • NSC-243807
    • CHEBI:38226
    • DTXSID30204231
    • RefChem:72043
    • DTXCID30126722
    • [1,2]Dithiolane
    • NSC243807
    • trimethylene disulfide
    • NSC 243807
    • SCHEMBL4638
    • UNII-6DE8XWQ974
    • SCHEMBL61145
    • SCHEMBL236777
    • SCHEMBL3418682
    • SCHEMBL4648306
    • SCHEMBL5153103
    • SCHEMBL8542069
    • Q3268366
    • 1,2-Dithiolane

  • Applications

    1,2-Dithiolane is primarily used as an industrial chemical intermediate and building block in sulfur chemistry. It serves as a precursor for the synthesis of sulfur-containing compounds, including disulfide motifs. It is employed in polymer and materials chemistry as a feedstock for sulfur-containing monomers and crosslinkers, contributing to specialty polymers and coatings. In research and development, it supports the preparation of ligands and reagents for coordination chemistry and catalysis, and may be used in small-scale synthesis of sulfur-based functional materials. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 409.35
    methanol 362.61
    isopropanol 293.17
    water 3.03
    ethyl acetate 471.5
    n-propanol 337.13
    acetone 969.77
    n-butanol 323.23
    acetonitrile 445.36
    DMF 694.2
    toluene 388.83
    isobutanol 240.01
    1,4-dioxane 845.61
    methyl acetate 453.26
    THF 1308.05
    2-butanone 641.45
    n-pentanol 224.3
    sec-butanol 269.57
    n-hexane 63.05
    ethylene glycol 167.26
    NMP 728.76
    cyclohexane 190.99
    DMSO 857.24
    n-butyl acetate 477.28
    n-octanol 208.4
    chloroform 1245.39
    n-propyl acetate 309.74
    acetic acid 617.83
    dichloromethane 903.73
    cyclohexanone 922.09
    propylene glycol 220.28
    isopropyl acetate 299.93
    DMAc 506.53
    2-ethoxyethanol 387.31
    isopentanol 232.75
    n-heptane 148.62
    ethyl formate 300.6
    1,2-dichloroethane 570.46
    n-hexanol 341.73
    2-methoxyethanol 553.59
    isobutyl acetate 220.74
    tetrachloromethane 244.1
    n-pentyl acetate 269.94
    transcutol 1213.22
    n-heptanol 194.75
    ethylbenzene 150.1
    MIBK 307.7
    2-propoxyethanol 559.48
    tert-butanol 315.45
    MTBE 295.37
    2-butoxyethanol 351.89
    propionic acid 390.15
    o-xylene 224.41
    formic acid 174.85
    diethyl ether 431.16
    m-xylene 250.89
    p-xylene 192.29
    chlorobenzene 459.22
    dimethyl carbonate 208.19
    n-octane 46.55
    formamide 245.98
    cyclopentanone 1102.6
    2-pentanone 563.02
    anisole 328.35
    cyclopentyl methyl ether 643.13
    gamma-butyrolactone 944.13
    1-methoxy-2-propanol 465.82
    pyridine 846.68
    3-pentanone 460.71
    furfural 857.93
    n-dodecane 35.25
    diethylene glycol 429.78
    diisopropyl ether 160.44
    tert-amyl alcohol 250.83
    acetylacetone 615.79
    n-hexadecane 40.7
    acetophenone 321.7
    methyl propionate 408.0
    isopentyl acetate 336.35
    trichloroethylene 1143.63
    n-nonanol 184.12
    cyclohexanol 405.45
    benzyl alcohol 261.4
    2-ethylhexanol 240.01
    isooctanol 150.04
    dipropyl ether 450.81
    1,2-dichlorobenzene 379.2
    ethyl lactate 178.17
    propylene carbonate 499.42
    n-methylformamide 359.54
    2-pentanol 246.43
    n-pentane 90.66
    1-propoxy-2-propanol 517.4
    1-methoxy-2-propyl acetate 443.06
    2-(2-methoxypropoxy) propanol 300.61
    mesitylene 162.29
    ε-caprolactone 625.4
    p-cymene 166.48
    epichlorohydrin 870.7
    1,1,1-trichloroethane 641.43
    2-aminoethanol 243.02
    morpholine-4-carbaldehyde 739.51
    sulfolane 950.67
    2,2,4-trimethylpentane 43.06
    2-methyltetrahydrofuran 751.59
    n-hexyl acetate 331.75
    isooctane 40.08
    2-(2-butoxyethoxy)ethanol 435.33
    sec-butyl acetate 215.12
    tert-butyl acetate 315.31
    decalin 60.39
    glycerin 301.85
    diglyme 828.94
    acrylic acid 405.53
    isopropyl myristate 157.55
    n-butyric acid 490.33
    acetyl acetate 374.13
    di(2-ethylhexyl) phthalate 131.43
    ethyl propionate 257.86
    nitromethane 770.16
    1,2-diethoxyethane 493.7
    benzonitrile 350.48
    trioctyl phosphate 108.95
    1-bromopropane 399.57
    gamma-valerolactone 1087.65
    n-decanol 140.86
    triethyl phosphate 148.33
    4-methyl-2-pentanol 140.33
    propionitrile 357.97
    vinylene carbonate 457.74
    1,1,2-trichlorotrifluoroethane 682.29
    DMS 240.16
    cumene 103.95
    2-octanol 135.86
    2-hexanone 344.51
    octyl acetate 202.4
    limonene 266.46
    1,2-dimethoxyethane 533.56
    ethyl orthosilicate 150.81
    tributyl phosphate 129.4
    diacetone alcohol 360.61
    N,N-dimethylaniline 207.78
    acrylonitrile 432.81
    aniline 416.3
    1,3-propanediol 300.07
    bromobenzene 491.9
    dibromomethane 685.21
    1,1,2,2-tetrachloroethane 842.86
    2-methyl-cyclohexyl acetate 256.63
    tetrabutyl urea 183.89
    diisobutyl methanol 165.65
    2-phenylethanol 286.13
    styrene 207.46
    dioctyl adipate 219.82
    dimethyl sulfate 290.54
    ethyl butyrate 342.0
    methyl lactate 243.07
    butyl lactate 227.76
    diethyl carbonate 211.83
    propanediol butyl ether 351.61
    triethyl orthoformate 263.34
    p-tert-butyltoluene 167.27
    methyl 4-tert-butylbenzoate 271.22
    morpholine 823.91
    tert-butylamine 214.25
    n-dodecanol 117.19
    dimethoxymethane 464.48
    ethylene carbonate 382.79
    cyrene 300.93
    2-ethoxyethyl acetate 369.69
    2-ethylhexyl acetate 286.83
    1,2,4-trichlorobenzene 462.9
    4-methylpyridine 604.54
    dibutyl ether 281.87
    2,6-dimethyl-4-heptanol 165.65
    DEF 447.3
    dimethyl isosorbide 476.05
    tetrachloroethylene 577.03
    eugenol 261.4
    triacetin 365.07
    span 80 337.82
    1,4-butanediol 156.91
    1,1-dichloroethane 608.57
    2-methyl-1-pentanol 164.63
    methyl formate 291.6
    2-methyl-1-butanol 229.35
    n-decane 59.85
    butyronitrile 360.11
    3,7-dimethyl-1-octanol 185.27
    1-chlorooctane 162.9
    1-chlorotetradecane 76.6
    n-nonane 62.34
    undecane 43.16
    tert-butylcyclohexane 52.53
    cyclooctane 78.58
    cyclopentanol 462.31
    tetrahydropyran 831.95
    tert-amyl methyl ether 244.9
    2,5,8-trioxanonane 562.91
    1-hexene 166.17
    2-isopropoxyethanol 286.51
    2,2,2-trifluoroethanol 255.05
    methyl butyrate 311.26

    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