Dihydro-2,4-dimethyl-6-(1-methylethyl)-4H-1,3,5-dithiazine

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  • Identifiers

    CAS number
    104691-41-0

    Molecular formula
    C8H17NS2

    SMILES
    CC1NC(SC(S1)C)C(C)C

  • Odor profile

    Fragrance
    Meaty 82.61%
    Roasted 77.78%
    Nutty 69.81%
    Sulfurous 57.43%
    Beefy 50.36%
    Cooked 49.39%
    Onion 44.02%
    Savory 43.5%
    Cocoa 36.9%
    Fatty 36.78%

     

    Flavor
    Sulfurous 50.0%
    Roasted 43.91%
    Meaty 32.06%
    Onion 24.87%
    Cocoa 24.46%
    Alliaceous 24.3%
    Sulfury 23.98%
    Vegetable 23.91%
    Chicken 22.78%
    Bouillon 22.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    4.69 (weak acid)

    Molecular weight
    191.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 104.00 to 115.00 °C. @ 1.70 mm Hg

    Flash point

    • 104.7 ˚C est.

  • Synonyms

    • 104691-41-0
    • 4-isopropyl-2,6-dimethyl-1,3,5-dithiazinane
    • 2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane
    • R3KSN48ZFJ
    • 4H-1,3,5-Dithiazine, dihydro-2,4-dimethyl-6-(1-methylethyl)-
    • Dimethylisopropyldihydro-1,3,5-dithiazine
    • UNII-R3KSN48ZFJ
    • Dihydro-6-isopropyl-2,4-dimethyl-4H-1,3,5-dithiazine
    • 4H-1,3,5-Dithiazine,dihydro-2,4-dimethyl-6-(1-methylethyl)-
    • DTXSID901192603
    • 2,4-dimethyl-6-(propan-2-yl)-1,3,5-dithiazinane
    • Dihydro-2,4-dimethyl-6-(1-methylethyl)-4H-1,3,5-dithiazine
    • SCHEMBL10515113
    • CHEBI:173914
    • DTXCID601623855
    • AKOS028108675
    • FEMA NO. 3782, 4-ISOPROPYL-
    • Q27287746
    • 2(or 4)-Isopropyl-4(or 2),6-dimethyldihydro-4H-1,3,5-dithiazine
    • Dihydro-2,4-dimethyl-6-(1-methylethyl)-4H-1,3,5-dithiazine, 9CI
    • Dihydro-4,6(or 2)-dimethyl-2(or 6)-(1-methylethyl)-4H-1,3,5-dithiazine

  • Applications

    Dihydro-2,4-dimethyl-6-(1-methylethyl)-4H-1,3,5-dithiazine (CAS 104691-41-0) is primarily used as an organic synthesis intermediate and building block for novel heterocyclic compounds, with typical applications in pharmaceutical and agrochemical research; it is also explored as a precursor or functional component in specialty polymers and coatings formulations, and may appear in materials research for electronics-related or advanced polymer systems in niche industrial contexts, always subject to formulation-specific limits and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 159.36
    methanol 138.5
    isopropanol 182.26
    water 0.91
    ethyl acetate 351.56
    n-propanol 187.62
    acetone 590.84
    n-butanol 197.32
    acetonitrile 217.28
    DMF 546.32
    toluene 232.34
    isobutanol 175.62
    1,4-dioxane 622.66
    methyl acetate 333.03
    THF 1295.61
    2-butanone 467.67
    n-pentanol 141.15
    sec-butanol 178.82
    n-hexane 16.85
    ethylene glycol 53.35
    NMP 693.26
    cyclohexane 45.47
    DMSO 656.55
    n-butyl acetate 435.26
    n-octanol 196.12
    chloroform 751.22
    n-propyl acetate 233.65
    acetic acid 226.01
    dichloromethane 528.61
    cyclohexanone 852.63
    propylene glycol 102.22
    isopropyl acetate 289.39
    DMAc 456.65
    2-ethoxyethanol 207.82
    isopentanol 183.15
    n-heptane 37.43
    ethyl formate 245.19
    1,2-dichloroethane 338.86
    n-hexanol 272.51
    2-methoxyethanol 319.43
    isobutyl acetate 205.61
    tetrachloromethane 154.1
    n-pentyl acetate 292.16
    transcutol 523.45
    n-heptanol 178.87
    ethylbenzene 91.01
    MIBK 284.69
    2-propoxyethanol 401.15
    tert-butanol 257.55
    MTBE 281.52
    2-butoxyethanol 260.5
    propionic acid 224.74
    o-xylene 150.74
    formic acid 50.05
    diethyl ether 237.73
    m-xylene 183.75
    p-xylene 138.66
    chlorobenzene 339.03
    dimethyl carbonate 160.44
    n-octane 22.17
    formamide 63.99
    cyclopentanone 1144.07
    2-pentanone 422.84
    anisole 214.68
    cyclopentyl methyl ether 537.82
    gamma-butyrolactone 1025.92
    1-methoxy-2-propanol 324.72
    pyridine 447.49
    3-pentanone 325.02
    furfural 776.18
    n-dodecane 20.03
    diethylene glycol 261.79
    diisopropyl ether 112.79
    tert-amyl alcohol 213.52
    acetylacetone 545.0
    n-hexadecane 24.01
    acetophenone 259.41
    methyl propionate 296.0
    isopentyl acetate 392.58
    trichloroethylene 762.08
    n-nonanol 168.69
    cyclohexanol 289.26
    benzyl alcohol 184.98
    2-ethylhexanol 196.39
    isooctanol 150.22
    dipropyl ether 237.56
    1,2-dichlorobenzene 305.49
    ethyl lactate 140.68
    propylene carbonate 588.23
    n-methylformamide 216.82
    2-pentanol 161.24
    n-pentane 21.99
    1-propoxy-2-propanol 346.6
    1-methoxy-2-propyl acetate 407.09
    2-(2-methoxypropoxy) propanol 217.44
    mesitylene 126.59
    ε-caprolactone 656.47
    p-cymene 119.43
    epichlorohydrin 748.89
    1,1,1-trichloroethane 479.67
    2-aminoethanol 98.23
    morpholine-4-carbaldehyde 627.22
    sulfolane 1256.51
    2,2,4-trimethylpentane 24.11
    2-methyltetrahydrofuran 762.44
    n-hexyl acetate 378.27
    isooctane 20.85
    2-(2-butoxyethoxy)ethanol 276.5
    sec-butyl acetate 188.31
    tert-butyl acetate 350.71
    decalin 28.5
    glycerin 155.84
    diglyme 497.4
    acrylic acid 199.85
    isopropyl myristate 161.58
    n-butyric acid 348.51
    acetyl acetate 294.69
    di(2-ethylhexyl) phthalate 141.5
    ethyl propionate 194.43
    nitromethane 435.7
    1,2-diethoxyethane 284.46
    benzonitrile 312.09
    trioctyl phosphate 128.71
    1-bromopropane 204.8
    gamma-valerolactone 1123.62
    n-decanol 126.39
    triethyl phosphate 142.28
    4-methyl-2-pentanol 124.94
    propionitrile 209.65
    vinylene carbonate 469.0
    1,1,2-trichlorotrifluoroethane 466.66
    DMS 247.06
    cumene 78.54
    2-octanol 154.26
    2-hexanone 279.34
    octyl acetate 207.19
    limonene 186.82
    1,2-dimethoxyethane 370.6
    ethyl orthosilicate 135.58
    tributyl phosphate 141.42
    diacetone alcohol 340.95
    N,N-dimethylaniline 155.1
    acrylonitrile 241.9
    aniline 247.11
    1,3-propanediol 159.26
    bromobenzene 352.88
    dibromomethane 360.95
    1,1,2,2-tetrachloroethane 598.66
    2-methyl-cyclohexyl acetate 254.7
    tetrabutyl urea 171.42
    diisobutyl methanol 136.9
    2-phenylethanol 242.49
    styrene 115.09
    dioctyl adipate 189.73
    dimethyl sulfate 298.04
    ethyl butyrate 260.62
    methyl lactate 185.06
    butyl lactate 223.61
    diethyl carbonate 173.38
    propanediol butyl ether 267.0
    triethyl orthoformate 206.4
    p-tert-butyltoluene 128.3
    methyl 4-tert-butylbenzoate 261.34
    morpholine 550.4
    tert-butylamine 140.7
    n-dodecanol 97.37
    dimethoxymethane 361.69
    ethylene carbonate 410.63
    cyrene 281.78
    2-ethoxyethyl acetate 330.65
    2-ethylhexyl acetate 325.86
    1,2,4-trichlorobenzene 373.14
    4-methylpyridine 490.92
    dibutyl ether 208.82
    2,6-dimethyl-4-heptanol 136.9
    DEF 358.77
    dimethyl isosorbide 441.8
    tetrachloroethylene 369.14
    eugenol 229.8
    triacetin 300.73
    span 80 232.9
    1,4-butanediol 88.34
    1,1-dichloroethane 413.67
    2-methyl-1-pentanol 132.37
    methyl formate 238.6
    2-methyl-1-butanol 177.18
    n-decane 36.43
    butyronitrile 252.02
    3,7-dimethyl-1-octanol 177.36
    1-chlorooctane 157.87
    1-chlorotetradecane 59.1
    n-nonane 35.83
    undecane 25.58
    tert-butylcyclohexane 32.57
    cyclooctane 24.11
    cyclopentanol 346.57
    tetrahydropyran 596.79
    tert-amyl methyl ether 234.53
    2,5,8-trioxanonane 325.36
    1-hexene 66.51
    2-isopropoxyethanol 182.45
    2,2,2-trifluoroethanol 127.57
    methyl butyrate 260.17

    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