1,2,4-Trithiolane

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  • Identifiers

    CAS number
    289-16-7

    Molecular formula
    C2H4S3

    SMILES
    C1SCSS1

  • Odor profile

    Fragrance
    Sulfurous 85.73%
    Meaty 58.12%
    Mushroom 55.93%
    Garlic 53.06%
    Roasted 49.74%
    Onion 49.38%
    Alliaceous 44.14%
    Cooked 36.8%
    Savory 34.04%
    Beefy 32.76%

     

    Flavor
    Sulfurous 37.11%
    Alliaceous 36.7%
    Roasted 36.63%
    Mushroom 36.51%
    Meaty 27.45%
    Fishy 26.91%
    Sulfur 26.65%
    Onion 26.31%
    Garlic 26.31%
    Savory 25.78%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    1.6 (strong acid)

    Molecular weight
    124.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 104.00 °C. @ 760.00 mm Hg

    Boiling point

    • 224.00 to 226.00 °C. @ 760.00 mm Hg

    Flash point

    • 69.23 ˚C est.

  • Synonyms

    • 1,2,4-TRITHIOLANE
    • 289-16-7
    • UNII-OF568IX8QZ
    • 1,2,4-Trithiacyclopentane
    • OF568IX8QZ
    • DTXSID70183091
    • SCHEMBL1039752
    • DTXCID80105582
    • CHEBI:192387
    • NS00124667
    • Q27285625

  • Applications

    1,2,4-Trithiolane (CAS 289-16-7) is primarily used as a sulfur-rich building block in organic synthesis, serving as an intermediate to access a range of sulfur-containing compounds. It is often viewed as a precursor for specialty polymers and coatings via conversion to sulfur-functional monomers or crosslinking agents. In thioacetal chemistry, it can act as a reactive sulfur source in thioacetalization or carbonyl-protection strategies, enabling selective transformations in organic synthesis. In materials science and electronics contexts, it may be explored as a sulfur-bearing scaffold for sulfur-rich materials, supporting research and development of advanced materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 205.14
    methanol 190.86
    isopropanol 156.65
    water 9.14
    ethyl acetate 225.01
    n-propanol 181.36
    acetone 375.21
    n-butanol 162.69
    acetonitrile 212.34
    DMF 358.27
    toluene 224.17
    isobutanol 133.61
    1,4-dioxane 440.69
    methyl acetate 223.33
    THF 681.79
    2-butanone 287.55
    n-pentanol 124.63
    sec-butanol 154.68
    n-hexane 50.08
    ethylene glycol 114.97
    NMP 427.76
    cyclohexane 122.28
    DMSO 374.3
    n-butyl acetate 209.49
    n-octanol 138.76
    chloroform 620.99
    n-propyl acetate 166.37
    acetic acid 308.12
    dichloromethane 440.07
    cyclohexanone 410.78
    propylene glycol 133.85
    isopropyl acetate 155.71
    DMAc 297.09
    2-ethoxyethanol 228.0
    isopentanol 126.26
    n-heptane 102.86
    ethyl formate 141.58
    1,2-dichloroethane 270.27
    n-hexanol 181.65
    2-methoxyethanol 321.27
    isobutyl acetate 124.47
    tetrachloromethane 153.61
    n-pentyl acetate 156.31
    transcutol 584.15
    n-heptanol 130.17
    ethylbenzene 97.91
    MIBK 156.71
    2-propoxyethanol 310.38
    tert-butanol 173.5
    MTBE 164.53
    2-butoxyethanol 224.24
    propionic acid 204.41
    o-xylene 149.86
    formic acid 123.89
    diethyl ether 236.46
    m-xylene 155.49
    p-xylene 117.66
    chlorobenzene 234.52
    dimethyl carbonate 125.73
    n-octane 38.46
    formamide 170.25
    cyclopentanone 531.1
    2-pentanone 258.59
    anisole 193.44
    cyclopentyl methyl ether 379.97
    gamma-butyrolactone 468.83
    1-methoxy-2-propanol 277.54
    pyridine 387.9
    3-pentanone 240.42
    furfural 417.54
    n-dodecane 29.4
    diethylene glycol 268.58
    diisopropyl ether 103.29
    tert-amyl alcohol 142.07
    acetylacetone 265.45
    n-hexadecane 32.8
    acetophenone 188.19
    methyl propionate 211.32
    isopentyl acetate 161.41
    trichloroethylene 503.05
    n-nonanol 126.13
    cyclohexanol 233.11
    benzyl alcohol 160.91
    2-ethylhexanol 137.97
    isooctanol 104.31
    dipropyl ether 243.63
    1,2-dichlorobenzene 208.51
    ethyl lactate 113.61
    propylene carbonate 254.26
    n-methylformamide 190.67
    2-pentanol 141.88
    n-pentane 69.09
    1-propoxy-2-propanol 279.7
    1-methoxy-2-propyl acetate 221.38
    2-(2-methoxypropoxy) propanol 186.75
    mesitylene 106.2
    ε-caprolactone 313.3
    p-cymene 102.45
    epichlorohydrin 421.0
    1,1,1-trichloroethane 305.7
    2-aminoethanol 157.1
    morpholine-4-carbaldehyde 402.25
    sulfolane 459.56
    2,2,4-trimethylpentane 33.42
    2-methyltetrahydrofuran 413.36
    n-hexyl acetate 186.55
    isooctane 30.89
    2-(2-butoxyethoxy)ethanol 267.84
    sec-butyl acetate 122.62
    tert-butyl acetate 166.86
    decalin 46.62
    glycerin 192.78
    diglyme 449.16
    acrylic acid 214.08
    isopropyl myristate 96.59
    n-butyric acid 222.49
    acetyl acetate 173.63
    di(2-ethylhexyl) phthalate 86.9
    ethyl propionate 153.9
    nitromethane 352.51
    1,2-diethoxyethane 255.8
    benzonitrile 181.28
    trioctyl phosphate 73.71
    1-bromopropane 201.79
    gamma-valerolactone 511.79
    n-decanol 99.21
    triethyl phosphate 89.45
    4-methyl-2-pentanol 90.39
    propionitrile 174.42
    vinylene carbonate 234.75
    1,1,2-trichlorotrifluoroethane 364.65
    DMS 132.54
    cumene 73.46
    2-octanol 98.21
    2-hexanone 179.96
    octyl acetate 119.77
    limonene 153.7
    1,2-dimethoxyethane 300.3
    ethyl orthosilicate 93.6
    tributyl phosphate 77.62
    diacetone alcohol 191.74
    N,N-dimethylaniline 149.34
    acrylonitrile 203.14
    aniline 234.96
    1,3-propanediol 169.3
    bromobenzene 240.86
    dibromomethane 338.56
    1,1,2,2-tetrachloroethane 421.63
    2-methyl-cyclohexyl acetate 144.69
    tetrabutyl urea 111.63
    diisobutyl methanol 94.61
    2-phenylethanol 171.7
    styrene 125.18
    dioctyl adipate 124.61
    dimethyl sulfate 171.62
    ethyl butyrate 178.1
    methyl lactate 145.03
    butyl lactate 138.39
    diethyl carbonate 113.7
    propanediol butyl ether 218.59
    triethyl orthoformate 145.53
    p-tert-butyltoluene 104.51
    methyl 4-tert-butylbenzoate 174.7
    morpholine 432.46
    tert-butylamine 131.52
    n-dodecanol 82.09
    dimethoxymethane 286.18
    ethylene carbonate 195.95
    cyrene 214.77
    2-ethoxyethyl acetate 195.13
    2-ethylhexyl acetate 147.81
    1,2,4-trichlorobenzene 249.28
    4-methylpyridine 288.51
    dibutyl ether 157.25
    2,6-dimethyl-4-heptanol 94.61
    DEF 240.33
    dimethyl isosorbide 307.9
    tetrachloroethylene 315.09
    eugenol 179.66
    triacetin 193.7
    span 80 210.24
    1,4-butanediol 95.83
    1,1-dichloroethane 282.07
    2-methyl-1-pentanol 100.17
    methyl formate 166.23
    2-methyl-1-butanol 127.98
    n-decane 46.31
    butyronitrile 161.53
    3,7-dimethyl-1-octanol 112.88
    1-chlorooctane 105.32
    1-chlorotetradecane 54.88
    n-nonane 48.47
    undecane 34.97
    tert-butylcyclohexane 40.92
    cyclooctane 59.12
    cyclopentanol 269.79
    tetrahydropyran 422.38
    tert-amyl methyl ether 152.6
    2,5,8-trioxanonane 337.55
    1-hexene 107.32
    2-isopropoxyethanol 178.21
    2,2,2-trifluoroethanol 170.22
    methyl butyrate 170.69

    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