3,3-Dimethyl-1,2-dithiolane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    58384-57-9

    Molecular formula
    C5H10S2

    SMILES
    CC1(CCSS1)C

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 86.31%
    Onion 63.57%
    Alliaceous 58.59%
    Meaty 56.0%
    Garlic 51.83%
    Vegetable 50.28%
    Green 47.15%
    Tropical 46.47%
    Savory 41.65%
    Roasted 34.54%

     

    Flavor
    Green 59.76%
    Sulfurous 58.0%
    Earthy 42.72%
    Vegetable 38.81%
    Onion 33.32%
    Sulfury 31.14%
    Meaty 30.83%
    Burnt 27.54%
    Alliaceous 27.38%
    Roasted 25.98%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    5.8 (weak acid)

    Molecular weight
    134.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    171°C

    Flash point

    • 60.31 ˚C est.

  • Synonyms

    • 3,3-Dimethyl-1,2-dithiolane
    • 58384-57-9
    • 1,2-Dithiolane, 3,3-dimethyl-
    • 3,3-dimethyldithiolane
    • starbld0006783
    • 2,5-Dimethoxy-Thiophene
    • SCHEMBL593066
    • 48P2NKV97L
    • 3,3'-dimethyl-1,2-dithiolane
    • DTXSID20207099
    • CHEBI:193960
    • LFHJFWOMFQJUBC-UHFFFAOYSA-N
    • 58384-57-9

  • Applications

    3,3-Dimethyl-1,2-dithiolane (CAS 58384-57-9) is primarily used as an organic-synthesis intermediate and building block for sulfur-containing compounds, including thioacetal/dithiolane motifs and related sulfide functionalities; it is also explored as a precursor in polymer and coating formulations where thiol/disulfide chemistry can enable crosslinking or network formation; in fragrance and perfumery, sulfur-containing dithiolane derivatives may be evaluated as odorants or fixatives; in pharmaceutical and agrochemical R&D, the compound serves as a scaffold for sulfur-containing heterocycles and as a synthetic building block; and in materials science, it is investigated as a component for sulfur-containing polymers or redox-active materials in research settings. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 320.58
    methanol 270.5
    isopropanol 274.37
    water 4.43
    ethyl acetate 761.44
    n-propanol 298.94
    acetone 700.13
    n-butanol 286.39
    acetonitrile 530.13
    DMF 665.61
    toluene 461.8
    isobutanol 213.98
    1,4-dioxane 1016.59
    methyl acetate 756.3
    THF 1036.92
    2-butanone 696.78
    n-pentanol 195.53
    sec-butanol 283.66
    n-hexane 52.95
    ethylene glycol 115.3
    NMP 678.12
    cyclohexane 135.41
    DMSO 441.37
    n-butyl acetate 572.53
    n-octanol 277.3
    chloroform 1602.54
    n-propyl acetate 396.22
    acetic acid 453.59
    dichloromethane 1016.4
    cyclohexanone 749.8
    propylene glycol 190.77
    isopropyl acetate 521.04
    DMAc 767.28
    2-ethoxyethanol 400.25
    isopentanol 228.16
    n-heptane 104.67
    ethyl formate 375.64
    1,2-dichloroethane 547.95
    n-hexanol 350.86
    2-methoxyethanol 560.96
    isobutyl acetate 292.21
    tetrachloromethane 351.68
    n-pentyl acetate 356.02
    transcutol 1441.13
    n-heptanol 265.48
    ethylbenzene 216.62
    MIBK 382.26
    2-propoxyethanol 655.21
    tert-butanol 325.8
    MTBE 446.46
    2-butoxyethanol 452.11
    propionic acid 416.56
    o-xylene 312.0
    formic acid 151.68
    diethyl ether 478.51
    m-xylene 334.9
    p-xylene 304.65
    chlorobenzene 569.44
    dimethyl carbonate 371.02
    n-octane 49.47
    formamide 263.75
    cyclopentanone 923.24
    2-pentanone 536.56
    anisole 532.41
    cyclopentyl methyl ether 560.17
    gamma-butyrolactone 895.04
    1-methoxy-2-propanol 551.53
    pyridine 815.15
    3-pentanone 505.33
    furfural 911.2
    n-dodecane 44.7
    diethylene glycol 433.58
    diisopropyl ether 241.29
    tert-amyl alcohol 308.07
    acetylacetone 740.53
    n-hexadecane 51.16
    acetophenone 489.72
    methyl propionate 597.21
    isopentyl acetate 474.51
    trichloroethylene 1316.7
    n-nonanol 262.52
    cyclohexanol 312.5
    benzyl alcohol 319.56
    2-ethylhexanol 262.86
    isooctanol 218.42
    dipropyl ether 413.07
    1,2-dichlorobenzene 536.03
    ethyl lactate 233.07
    propylene carbonate 624.56
    n-methylformamide 374.95
    2-pentanol 255.8
    n-pentane 72.64
    1-propoxy-2-propanol 562.42
    1-methoxy-2-propyl acetate 705.55
    2-(2-methoxypropoxy) propanol 447.56
    mesitylene 242.38
    ε-caprolactone 670.56
    p-cymene 225.0
    epichlorohydrin 851.96
    1,1,1-trichloroethane 882.2
    2-aminoethanol 200.04
    morpholine-4-carbaldehyde 894.08
    sulfolane 751.7
    2,2,4-trimethylpentane 51.87
    2-methyltetrahydrofuran 738.52
    n-hexyl acetate 477.96
    isooctane 46.26
    2-(2-butoxyethoxy)ethanol 598.48
    sec-butyl acetate 331.18
    tert-butyl acetate 582.86
    decalin 74.57
    glycerin 247.13
    diglyme 1040.91
    acrylic acid 395.13
    isopropyl myristate 253.43
    n-butyric acid 503.79
    acetyl acetate 670.7
    di(2-ethylhexyl) phthalate 195.23
    ethyl propionate 393.2
    nitromethane 901.13
    1,2-diethoxyethane 629.06
    benzonitrile 466.93
    trioctyl phosphate 154.19
    1-bromopropane 374.54
    gamma-valerolactone 1091.85
    n-decanol 200.29
    triethyl phosphate 228.56
    4-methyl-2-pentanol 181.4
    propionitrile 417.42
    vinylene carbonate 653.47
    1,1,2-trichlorotrifluoroethane 748.83
    DMS 493.32
    cumene 157.36
    2-octanol 186.86
    2-hexanone 365.89
    octyl acetate 303.74
    limonene 314.39
    1,2-dimethoxyethane 603.97
    ethyl orthosilicate 226.72
    tributyl phosphate 189.7
    diacetone alcohol 496.49
    N,N-dimethylaniline 330.17
    acrylonitrile 508.21
    aniline 469.01
    1,3-propanediol 272.3
    bromobenzene 624.2
    dibromomethane 682.62
    1,1,2,2-tetrachloroethane 1000.04
    2-methyl-cyclohexyl acetate 356.56
    tetrabutyl urea 217.33
    diisobutyl methanol 199.28
    2-phenylethanol 400.06
    styrene 288.45
    dioctyl adipate 295.06
    dimethyl sulfate 455.26
    ethyl butyrate 445.71
    methyl lactate 343.6
    butyl lactate 305.85
    diethyl carbonate 322.88
    propanediol butyl ether 404.46
    triethyl orthoformate 369.65
    p-tert-butyltoluene 246.57
    methyl 4-tert-butylbenzoate 461.28
    morpholine 897.03
    tert-butylamine 222.66
    n-dodecanol 159.19
    dimethoxymethane 558.2
    ethylene carbonate 541.68
    cyrene 375.72
    2-ethoxyethyl acetate 557.42
    2-ethylhexyl acetate 409.22
    1,2,4-trichlorobenzene 651.21
    4-methylpyridine 694.45
    dibutyl ether 337.11
    2,6-dimethyl-4-heptanol 199.28
    DEF 513.3
    dimethyl isosorbide 719.28
    tetrachloroethylene 645.69
    eugenol 400.43
    triacetin 601.7
    span 80 413.73
    1,4-butanediol 124.37
    1,1-dichloroethane 717.22
    2-methyl-1-pentanol 175.43
    methyl formate 341.91
    2-methyl-1-butanol 222.96
    n-decane 73.74
    butyronitrile 365.52
    3,7-dimethyl-1-octanol 263.38
    1-chlorooctane 217.05
    1-chlorotetradecane 106.32
    n-nonane 70.93
    undecane 56.06
    tert-butylcyclohexane 68.48
    cyclooctane 73.81
    cyclopentanol 329.67
    tetrahydropyran 763.42
    tert-amyl methyl ether 369.96
    2,5,8-trioxanonane 708.28
    1-hexene 153.35
    2-isopropoxyethanol 332.75
    2,2,2-trifluoroethanol 278.3
    methyl butyrate 425.62

    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