2,4-Dimethyl-1,3-dithiolane

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  • Identifiers

    Molecular formula
    C5H10S2

    SMILES
    CC1CSC(S1)C

  • Odor profile

    Fragrance
    Sulfurous 81.2%
    Meaty 55.76%
    Onion 54.64%
    Alliaceous 46.41%
    Garlic 42.63%
    Roasted 37.91%
    Savory 35.6%
    Cooked 32.31%
    Beefy 29.72%
    Vegetable 22.35%

     

    Flavor
    Sulfurous 70.3%
    Meaty 44.1%
    Onion 42.71%
    Alliaceous 40.84%
    Roasted 39.89%
    Vegetable 37.83%
    Sulfur 33.97%
    Garlic 30.91%
    Sulfury 30.2%
    Savory 29.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    4.77 (weak acid)

    Molecular weight
    134.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    196°C

    Flash point

    • 70.83 ˚C est.

  • Synonyms

    • 2,4-Dimethyl-1,3-dithiolane
    • [(1-Ethyldodecyl)oxy](isopropyl)dimethylsilane
    • SCHEMBL5066689
    • FSCICYWMDXUMTJ-UHFFFAOYSA-N

  • Applications

    2,4-Dimethyl-1,3-dithiolane is commonly viewed as an organic synthesis intermediate and a thioacetal protecting group; it forms stable thioacetal protections for carbonyl groups, enabling other transformations on the molecule while preventing undesired reactions, and it can be deprotected later. Owing to its sulfur-containing ring, it is also explored as a building block for sulfur-containing heterocycles and related materials. Its potential sulfur-like aroma may lead to its consideration as a fragrance ingredient or odorant component in perfumery formulations at low levels. In materials and polymer chemistry, it can serve as a building block or precursor for sulfur-containing polymers or coatings after functionalization to impart desirable properties. In process chemistry, it may be evaluated as an intermediate for pharmaceutical or agrochemical synthesis, subject to regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 676.4
    methanol 491.38
    isopropanol 478.62
    water 3.05
    ethyl acetate 1234.21
    n-propanol 577.51
    acetone 1008.39
    n-butanol 618.14
    acetonitrile 721.4
    DMF 604.89
    toluene 705.59
    isobutanol 401.72
    1,4-dioxane 1697.51
    methyl acetate 902.61
    THF 1905.55
    2-butanone 899.18
    n-pentanol 392.09
    sec-butanol 469.24
    n-hexane 91.75
    ethylene glycol 125.19
    NMP 780.43
    cyclohexane 258.73
    DMSO 614.85
    n-butyl acetate 1239.55
    n-octanol 367.52
    chloroform 2135.07
    n-propyl acetate 585.97
    acetic acid 720.71
    dichloromethane 1490.41
    cyclohexanone 1289.08
    propylene glycol 206.25
    isopropyl acetate 750.1
    DMAc 598.04
    2-ethoxyethanol 593.13
    isopentanol 484.95
    n-heptane 201.95
    ethyl formate 654.08
    1,2-dichloroethane 855.91
    n-hexanol 709.66
    2-methoxyethanol 885.68
    isobutyl acetate 389.48
    tetrachloromethane 579.57
    n-pentyl acetate 601.92
    transcutol 2002.2
    n-heptanol 400.0
    ethylbenzene 235.1
    MIBK 528.37
    2-propoxyethanol 1043.15
    tert-butanol 546.23
    MTBE 700.69
    2-butoxyethanol 628.76
    propionic acid 549.55
    o-xylene 362.34
    formic acid 203.91
    diethyl ether 994.29
    m-xylene 463.26
    p-xylene 292.08
    chlorobenzene 802.23
    dimethyl carbonate 333.76
    n-octane 68.34
    formamide 298.88
    cyclopentanone 1311.68
    2-pentanone 868.45
    anisole 572.09
    cyclopentyl methyl ether 937.44
    gamma-butyrolactone 1373.94
    1-methoxy-2-propanol 760.36
    pyridine 1141.14
    3-pentanone 670.69
    furfural 1278.19
    n-dodecane 52.41
    diethylene glycol 628.53
    diisopropyl ether 406.67
    tert-amyl alcohol 474.27
    acetylacetone 972.44
    n-hexadecane 60.65
    acetophenone 464.03
    methyl propionate 737.01
    isopentyl acetate 840.51
    trichloroethylene 1665.39
    n-nonanol 336.61
    cyclohexanol 640.52
    benzyl alcohol 375.99
    2-ethylhexanol 503.49
    isooctanol 315.8
    dipropyl ether 763.13
    1,2-dichlorobenzene 685.21
    ethyl lactate 241.93
    propylene carbonate 865.8
    n-methylformamide 464.33
    2-pentanol 477.73
    n-pentane 149.99
    1-propoxy-2-propanol 903.43
    1-methoxy-2-propyl acetate 1001.23
    2-(2-methoxypropoxy) propanol 514.07
    mesitylene 314.47
    ε-caprolactone 1176.23
    p-cymene 283.26
    epichlorohydrin 1282.78
    1,1,1-trichloroethane 1261.11
    2-aminoethanol 258.62
    morpholine-4-carbaldehyde 1097.98
    sulfolane 998.3
    2,2,4-trimethylpentane 82.0
    2-methyltetrahydrofuran 1396.01
    n-hexyl acetate 664.36
    isooctane 79.49
    2-(2-butoxyethoxy)ethanol 744.7
    sec-butyl acetate 439.52
    tert-butyl acetate 803.89
    decalin 101.5
    glycerin 291.29
    diglyme 1340.5
    acrylic acid 423.72
    isopropyl myristate 306.79
    n-butyric acid 975.4
    acetyl acetate 905.8
    di(2-ethylhexyl) phthalate 236.61
    ethyl propionate 482.19
    nitromethane 1060.32
    1,2-diethoxyethane 1084.54
    benzonitrile 586.79
    trioctyl phosphate 185.27
    1-bromopropane 659.01
    gamma-valerolactone 1582.73
    n-decanol 246.43
    triethyl phosphate 286.64
    4-methyl-2-pentanol 295.73
    propionitrile 588.78
    vinylene carbonate 864.6
    1,1,2-trichlorotrifluoroethane 876.38
    DMS 460.92
    cumene 174.82
    2-octanol 267.42
    2-hexanone 515.51
    octyl acetate 376.31
    limonene 453.16
    1,2-dimethoxyethane 826.98
    ethyl orthosilicate 300.46
    tributyl phosphate 232.12
    diacetone alcohol 658.9
    N,N-dimethylaniline 322.77
    acrylonitrile 604.8
    aniline 718.24
    1,3-propanediol 466.93
    bromobenzene 884.19
    dibromomethane 1083.9
    1,1,2,2-tetrachloroethane 1233.68
    2-methyl-cyclohexyl acetate 473.01
    tetrabutyl urea 259.5
    diisobutyl methanol 327.74
    2-phenylethanol 540.41
    styrene 313.26
    dioctyl adipate 367.13
    dimethyl sulfate 389.86
    ethyl butyrate 750.1
    methyl lactate 319.88
    butyl lactate 385.26
    diethyl carbonate 458.19
    propanediol butyl ether 478.25
    triethyl orthoformate 555.69
    p-tert-butyltoluene 305.98
    methyl 4-tert-butylbenzoate 484.49
    morpholine 1476.11
    tert-butylamine 384.72
    n-dodecanol 190.46
    dimethoxymethane 752.66
    ethylene carbonate 791.85
    cyrene 429.74
    2-ethoxyethyl acetate 804.52
    2-ethylhexyl acetate 727.01
    1,2,4-trichlorobenzene 764.61
    4-methylpyridine 1017.61
    dibutyl ether 538.47
    2,6-dimethyl-4-heptanol 327.74
    DEF 777.34
    dimethyl isosorbide 901.86
    tetrachloroethylene 888.27
    eugenol 421.48
    triacetin 594.41
    span 80 517.35
    1,4-butanediol 180.73
    1,1-dichloroethane 1098.92
    2-methyl-1-pentanol 340.73
    methyl formate 386.18
    2-methyl-1-butanol 455.0
    n-decane 91.48
    butyronitrile 736.86
    3,7-dimethyl-1-octanol 365.19
    1-chlorooctane 275.39
    1-chlorotetradecane 125.46
    n-nonane 92.14
    undecane 67.01
    tert-butylcyclohexane 96.78
    cyclooctane 118.81
    cyclopentanol 576.35
    tetrahydropyran 1483.79
    tert-amyl methyl ether 557.61
    2,5,8-trioxanonane 913.77
    1-hexene 268.3
    2-isopropoxyethanol 474.82
    2,2,2-trifluoroethanol 332.69
    methyl butyrate 566.97

    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