2-Ethyl-4,6-dimethyldihydro-1,3,5-dithiazine

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  • Identifiers

    CAS number
    54717-14-5

    Molecular formula
    C7H15NS2

    SMILES
    CCC1SC(NC(S1)C)C

    Safety labels

  • Odor profile

    Fragrance
    Meaty 82.54%
    Roasted 77.25%
    Nutty 69.13%
    Sulfurous 58.79%
    Beefy 52.85%
    Cooked 51.43%
    Onion 42.95%
    Savory 41.68%
    Hazelnut 35.37%
    Coffee 34.16%

     

    Flavor
    Sulfurous 54.56%
    Roasted 46.09%
    Meaty 33.36%
    Vegetable 28.24%
    Alliaceous 27.73%
    Onion 27.52%
    Chicken 24.57%
    Cocoa 23.94%
    Sulfury 23.86%
    Peanut 23.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    4.81 (weak acid)

    Molecular weight
    177.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    238°C

    Flash point

    • 94.61 ˚C est.

    Solubility expt.

    • Insoluble in water; Soluble in fats
    • Soluble (in ethanol)

  • Synonyms

    • Fema No. 4667. 2-ethyl-
    • R63L8P9C14
    • 54717-14-5
    • UNII-R63L8P9C14
    • DTXSID401020037
    • RefChem:86897
    • 2-Ethyl-4,6-dimethyldihydro-1,3,5-dithiazine
    • DTXCID101477885
    • 2-ethyl-4,6-dimethyl-1,3,5-dithiazinane
    • 2-Ethyl-4,6-dimethyldihydro-1,3,5- dithiazine
    • 1,3,5-Dithiazine, perhydro-2-ethyl-4,6-dimethyl
    • BHTMBVSWSZTUBT-UHFFFAOYSA-N
    • 5,6-Dihydro-2-ethyl-4,6-dimethyl-4H-1,3,5-dithiazine
    • 54717-14-5

  • Applications

    2-Ethyl-4,6-dimethyldihydro-1,3,5-dithiazine is typically used as an intermediate in the synthesis of other heterocyclic compounds containing the dithiazine ring; it is commonly evaluated as a building block in medicinal chemistry and related research for scaffold elaboration. In materials science, the compound may serve as a functional monomer precursor or a specialized precursor in the preparation of advanced polymers and coatings. In addition, it is encountered in laboratory-scale syntheses as a precursor to dyes, pigments, or other specialty organic molecules, and may be used as a starting point for catalyst development or ligands in organic synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 161.96
    methanol 194.39
    isopropanol 134.34
    water 1.03
    ethyl acetate 323.27
    n-propanol 156.45
    acetone 516.88
    n-butanol 148.19
    acetonitrile 225.22
    DMF 518.09
    toluene 227.91
    isobutanol 124.6
    1,4-dioxane 531.65
    methyl acetate 295.0
    THF 1053.67
    2-butanone 357.57
    n-pentanol 95.14
    sec-butanol 117.69
    n-hexane 12.31
    ethylene glycol 59.53
    NMP 702.97
    cyclohexane 44.36
    DMSO 696.63
    n-butyl acetate 309.22
    n-octanol 117.09
    chloroform 681.04
    n-propyl acetate 174.55
    acetic acid 227.84
    dichloromethane 532.61
    cyclohexanone 713.99
    propylene glycol 84.25
    isopropyl acetate 231.01
    DMAc 386.5
    2-ethoxyethanol 160.72
    isopentanol 116.79
    n-heptane 31.43
    ethyl formate 225.22
    1,2-dichloroethane 326.4
    n-hexanol 187.78
    2-methoxyethanol 310.34
    isobutyl acetate 137.18
    tetrachloromethane 158.41
    n-pentyl acetate 207.05
    transcutol 394.01
    n-heptanol 109.69
    ethylbenzene 65.23
    MIBK 194.32
    2-propoxyethanol 325.8
    tert-butanol 166.74
    MTBE 182.34
    2-butoxyethanol 175.56
    propionic acid 205.99
    o-xylene 124.78
    formic acid 67.59
    diethyl ether 210.6
    m-xylene 155.25
    p-xylene 87.71
    chlorobenzene 316.7
    dimethyl carbonate 148.74
    n-octane 15.33
    formamide 81.8
    cyclopentanone 991.8
    2-pentanone 321.29
    anisole 160.67
    cyclopentyl methyl ether 440.06
    gamma-butyrolactone 943.24
    1-methoxy-2-propanol 261.12
    pyridine 432.8
    3-pentanone 260.59
    furfural 715.19
    n-dodecane 14.01
    diethylene glycol 239.46
    diisopropyl ether 81.72
    tert-amyl alcohol 134.9
    acetylacetone 449.49
    n-hexadecane 16.95
    acetophenone 179.78
    methyl propionate 278.94
    isopentyl acetate 261.11
    trichloroethylene 673.66
    n-nonanol 99.76
    cyclohexanol 210.25
    benzyl alcohol 130.49
    2-ethylhexanol 128.97
    isooctanol 86.14
    dipropyl ether 179.66
    1,2-dichlorobenzene 272.11
    ethyl lactate 95.46
    propylene carbonate 491.1
    n-methylformamide 234.29
    2-pentanol 102.66
    n-pentane 18.7
    1-propoxy-2-propanol 247.26
    1-methoxy-2-propyl acetate 317.92
    2-(2-methoxypropoxy) propanol 148.6
    mesitylene 108.02
    ε-caprolactone 514.24
    p-cymene 90.82
    epichlorohydrin 638.56
    1,1,1-trichloroethane 453.03
    2-aminoethanol 95.14
    morpholine-4-carbaldehyde 547.9
    sulfolane 1100.85
    2,2,4-trimethylpentane 16.84
    2-methyltetrahydrofuran 582.23
    n-hexyl acetate 249.83
    isooctane 13.79
    2-(2-butoxyethoxy)ethanol 186.86
    sec-butyl acetate 124.62
    tert-butyl acetate 261.33
    decalin 22.29
    glycerin 136.3
    diglyme 358.81
    acrylic acid 192.5
    isopropyl myristate 106.16
    n-butyric acid 307.18
    acetyl acetate 273.24
    di(2-ethylhexyl) phthalate 101.2
    ethyl propionate 150.48
    nitromethane 445.68
    1,2-diethoxyethane 213.62
    benzonitrile 241.68
    trioctyl phosphate 85.93
    1-bromopropane 184.15
    gamma-valerolactone 923.8
    n-decanol 74.92
    triethyl phosphate 108.88
    4-methyl-2-pentanol 69.29
    propionitrile 192.68
    vinylene carbonate 427.65
    1,1,2-trichlorotrifluoroethane 405.99
    DMS 198.73
    cumene 53.74
    2-octanol 84.89
    2-hexanone 184.38
    octyl acetate 133.88
    limonene 138.75
    1,2-dimethoxyethane 278.33
    ethyl orthosilicate 102.41
    tributyl phosphate 99.72
    diacetone alcohol 232.65
    N,N-dimethylaniline 109.54
    acrylonitrile 233.59
    aniline 223.05
    1,3-propanediol 142.11
    bromobenzene 339.93
    dibromomethane 356.63
    1,1,2,2-tetrachloroethane 520.55
    2-methyl-cyclohexyl acetate 178.34
    tetrabutyl urea 121.23
    diisobutyl methanol 88.57
    2-phenylethanol 178.83
    styrene 90.74
    dioctyl adipate 134.47
    dimethyl sulfate 268.86
    ethyl butyrate 192.56
    methyl lactate 155.45
    butyl lactate 148.9
    diethyl carbonate 128.88
    propanediol butyl ether 162.8
    triethyl orthoformate 152.61
    p-tert-butyltoluene 94.22
    methyl 4-tert-butylbenzoate 187.15
    morpholine 456.91
    tert-butylamine 90.33
    n-dodecanol 59.21
    dimethoxymethane 354.82
    ethylene carbonate 373.12
    cyrene 197.94
    2-ethoxyethyl acetate 267.56
    2-ethylhexyl acetate 228.12
    1,2,4-trichlorobenzene 326.67
    4-methylpyridine 430.47
    dibutyl ether 141.22
    2,6-dimethyl-4-heptanol 88.57
    DEF 293.49
    dimethyl isosorbide 334.73
    tetrachloroethylene 333.26
    eugenol 161.72
    triacetin 218.73
    span 80 163.52
    1,4-butanediol 63.67
    1,1-dichloroethane 355.33
    2-methyl-1-pentanol 80.89
    methyl formate 248.38
    2-methyl-1-butanol 116.49
    n-decane 23.9
    butyronitrile 216.67
    3,7-dimethyl-1-octanol 107.7
    1-chlorooctane 105.52
    1-chlorotetradecane 42.81
    n-nonane 23.67
    undecane 17.59
    tert-butylcyclohexane 22.79
    cyclooctane 21.69
    cyclopentanol 275.45
    tetrahydropyran 509.36
    tert-amyl methyl ether 151.39
    2,5,8-trioxanonane 240.63
    1-hexene 49.08
    2-isopropoxyethanol 124.59
    2,2,2-trifluoroethanol 125.65
    methyl butyrate 190.32

    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