3,5-Dimethyl-1,2,4-trithiolane

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  • Identifiers

    CAS number
    23654-92-4

    Molecular formula
    C4H8S3

    SMILES
    CC1SC(SS1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 81.06%
    Meaty 69.93%
    Onion 54.67%
    Roasted 51.72%
    Garlic 43.05%
    Cooked 41.0%
    Alliaceous 40.64%
    Savory 39.5%
    Beefy 39.23%
    Burnt 24.04%

     

    Flavor
    Sulfurous 64.04%
    Meaty 46.71%
    Roasted 37.25%
    Alliaceous 37.1%
    Onion 37.09%
    Sulfur 33.84%
    Savory 29.73%
    Vegetable 28.4%
    Cabbage 27.94%
    Garlic 26.81%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    3.95 (weak acid)

    Molecular weight
    152.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 43.00 to 45.00 °C. @ 0.70 mm Hg

    Flash point

    • 94.65 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in fat

  • Synonyms

    • 3,5-DIMETHYL-1,2,4-TRITHIOLANE
    • 23654-92-4
    • 1,2,4-Trithiolane, 3,5-dimethyl-
    • 2,5-Dimethyl-1,3,4-trithiolane
    • FEMA No. 3541
    • EINECS 245-808-6
    • UNII-FQN903SX70
    • FQN903SX70
    • 3,5-Dimethyl-1,2,4-trithiolan
    • 3,5-dimethyl-1,2,4-trithiolane, A
    • 3,5-dimethyl-1,2,4-trithiolane, B
    • FEMA 3541
    • DTXSID70865108
    • 3,5-Dimethyl-1,2,-trithiolane, isomer 1
    • 3,5-Dimethyl-1,2,-trithiolane, isomer 2
    • 3,5-DIMETHYL-1,2,4-TRITHIACYCLOPENTANE
    • 3,5-DIMETHYL-1,2,4-TRITHIOLANE [FHFI]
    • (+/-)-3,5-DIMETHYL-1,2,4-TRITHIOLANE
    • 3,5-DIMETHYL-1,2,4-TRITHIOLANE, (+/-)-
    • SCHEMBL4946941
    • DTXCID60813557
    • AKOS015898779
    • DB-003358
    • NS00050717
    • Q223016
    • 245-808-6

  • Applications

    3,5-Dimethyl-1,2,4-trithiolane (CAS 23654-92-4) is primarily used as a carbonyl protecting group (thioacetal) in organic synthesis, enabling selective transformations by temporarily masking aldehyde or ketone functionality; it also serves as a versatile intermediate building block in pharmaceutical and fine chemical manufacturing, where it is employed to introduce sulfur-containing heterocycles and related motifs. In polymer and materials chemistry, it can be used as a precursor to sulfur-containing building blocks or as a protected scaffold that can be deprotected later in a synthesis sequence; it may also function as a reagent in organosulfur chemistry for specialized syntheses. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 103.85
    methanol 93.44
    isopropanol 91.58
    water 1.9
    ethyl acetate 370.05
    n-propanol 97.11
    acetone 389.72
    n-butanol 108.58
    acetonitrile 234.75
    DMF 499.08
    toluene 302.43
    isobutanol 79.46
    1,4-dioxane 649.85
    methyl acetate 333.98
    THF 825.67
    2-butanone 328.9
    n-pentanol 81.3
    sec-butanol 91.2
    n-hexane 21.85
    ethylene glycol 35.2
    NMP 723.49
    cyclohexane 62.71
    DMSO 404.39
    n-butyl acetate 320.77
    n-octanol 98.67
    chloroform 924.05
    n-propyl acetate 224.51
    acetic acid 224.04
    dichloromethane 742.85
    cyclohexanone 619.57
    propylene glycol 44.48
    isopropyl acetate 279.29
    DMAc 433.49
    2-ethoxyethanol 198.14
    isopentanol 103.01
    n-heptane 44.15
    ethyl formate 238.26
    1,2-dichloroethane 412.97
    n-hexanol 129.42
    2-methoxyethanol 280.47
    isobutyl acetate 170.43
    tetrachloromethane 229.99
    n-pentyl acetate 236.61
    transcutol 564.24
    n-heptanol 99.31
    ethylbenzene 128.23
    MIBK 237.12
    2-propoxyethanol 276.12
    tert-butanol 143.27
    MTBE 196.59
    2-butoxyethanol 201.95
    propionic acid 156.78
    o-xylene 194.05
    formic acid 77.16
    diethyl ether 239.77
    m-xylene 212.89
    p-xylene 166.38
    chlorobenzene 462.1
    dimethyl carbonate 211.96
    n-octane 21.57
    formamide 156.38
    cyclopentanone 850.8
    2-pentanone 316.83
    anisole 357.39
    cyclopentyl methyl ether 425.29
    gamma-butyrolactone 860.16
    1-methoxy-2-propanol 250.6
    pyridine 544.52
    3-pentanone 272.44
    furfural 931.47
    n-dodecane 18.37
    diethylene glycol 194.53
    diisopropyl ether 122.09
    tert-amyl alcohol 124.69
    acetylacetone 575.41
    n-hexadecane 22.07
    acetophenone 339.14
    methyl propionate 282.07
    isopentyl acetate 293.66
    trichloroethylene 949.93
    n-nonanol 99.56
    cyclohexanol 166.91
    benzyl alcohol 193.6
    2-ethylhexanol 120.2
    isooctanol 92.23
    dipropyl ether 206.78
    1,2-dichlorobenzene 490.64
    ethyl lactate 118.42
    propylene carbonate 511.7
    n-methylformamide 225.61
    2-pentanol 97.03
    n-pentane 27.04
    1-propoxy-2-propanol 242.07
    1-methoxy-2-propyl acetate 402.87
    2-(2-methoxypropoxy) propanol 234.88
    mesitylene 164.09
    ε-caprolactone 516.79
    p-cymene 133.85
    epichlorohydrin 745.34
    1,1,1-trichloroethane 624.55
    2-aminoethanol 62.9
    morpholine-4-carbaldehyde 747.2
    sulfolane 913.51
    2,2,4-trimethylpentane 24.19
    2-methyltetrahydrofuran 542.04
    n-hexyl acetate 264.04
    isooctane 22.93
    2-(2-butoxyethoxy)ethanol 276.26
    sec-butyl acetate 187.53
    tert-butyl acetate 360.08
    decalin 45.11
    glycerin 86.96
    diglyme 588.11
    acrylic acid 168.65
    isopropyl myristate 154.66
    n-butyric acid 251.84
    acetyl acetate 406.26
    di(2-ethylhexyl) phthalate 131.03
    ethyl propionate 213.81
    nitromethane 580.93
    1,2-diethoxyethane 322.03
    benzonitrile 326.99
    trioctyl phosphate 95.63
    1-bromopropane 216.94
    gamma-valerolactone 997.47
    n-decanol 77.75
    triethyl phosphate 174.01
    4-methyl-2-pentanol 79.04
    propionitrile 174.14
    vinylene carbonate 518.51
    1,1,2-trichlorotrifluoroethane 516.37
    DMS 277.3
    cumene 96.57
    2-octanol 77.83
    2-hexanone 218.13
    octyl acetate 175.38
    limonene 184.92
    1,2-dimethoxyethane 381.79
    ethyl orthosilicate 161.96
    tributyl phosphate 118.74
    diacetone alcohol 286.97
    N,N-dimethylaniline 226.15
    acrylonitrile 233.4
    aniline 281.38
    1,3-propanediol 111.56
    bromobenzene 525.99
    dibromomethane 476.94
    1,1,2,2-tetrachloroethane 659.5
    2-methyl-cyclohexyl acetate 253.85
    tetrabutyl urea 150.47
    diisobutyl methanol 105.64
    2-phenylethanol 235.57
    styrene 175.76
    dioctyl adipate 201.87
    dimethyl sulfate 380.9
    ethyl butyrate 270.44
    methyl lactate 161.9
    butyl lactate 161.18
    diethyl carbonate 203.31
    propanediol butyl ether 150.0
    triethyl orthoformate 233.29
    p-tert-butyltoluene 147.61
    methyl 4-tert-butylbenzoate 331.29
    morpholine 533.61
    tert-butylamine 90.82
    n-dodecanol 63.75
    dimethoxymethane 387.18
    ethylene carbonate 410.67
    cyrene 308.53
    2-ethoxyethyl acetate 347.57
    2-ethylhexyl acetate 265.14
    1,2,4-trichlorobenzene 539.96
    4-methylpyridine 524.63
    dibutyl ether 163.44
    2,6-dimethyl-4-heptanol 105.64
    DEF 342.43
    dimethyl isosorbide 570.85
    tetrachloroethylene 432.05
    eugenol 273.8
    triacetin 344.86
    span 80 221.86
    1,4-butanediol 51.71
    1,1-dichloroethane 448.55
    2-methyl-1-pentanol 83.85
    methyl formate 238.07
    2-methyl-1-butanol 95.08
    n-decane 29.77
    butyronitrile 189.22
    3,7-dimethyl-1-octanol 114.82
    1-chlorooctane 110.6
    1-chlorotetradecane 54.38
    n-nonane 27.93
    undecane 22.5
    tert-butylcyclohexane 40.37
    cyclooctane 35.49
    cyclopentanol 192.45
    tetrahydropyran 433.94
    tert-amyl methyl ether 187.45
    2,5,8-trioxanonane 455.05
    1-hexene 64.15
    2-isopropoxyethanol 164.86
    2,2,2-trifluoroethanol 175.67
    methyl butyrate 256.51

    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