2,4,6-Triethyl-1,3,5-dithiazinane

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  • Identifiers

    CAS number
    54717-17-8

    Molecular formula
    C9H19NS2

    SMILES
    CCC1NC(SC(S1)CC)CC

  • Odor profile

    Fragrance
    Roasted 68.02%
    Meaty 66.48%
    Sulfurous 62.81%
    Fatty 58.08%
    Nutty 55.26%
    Onion 50.21%
    Cooked 45.65%
    Savory 45.12%
    Alliaceous 43.43%
    Vegetable 36.09%

     

    Flavor
    Sulfurous 54.41%
    Roasted 37.28%
    Green 28.52%
    Onion 26.54%
    Meaty 26.47%
    Vegetable 26.24%
    Alliaceous 25.72%
    Tropical 25.48%
    Metallic 23.65%
    Chicken 22.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    4.89 (weak acid)

    Molecular weight
    205.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point

    • 114.13 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble
    • Soluble (in ethanol)

  • Synonyms

    • 2,4,6-Triethyl-1,3,5-dithiazinane
    • 54717-17-8
    • UNII-9PHT7XFK4F
    • 9PHT7XFK4F
    • 4H-1,3,5-Dithiazine, 2,4,6-triethyldihydro-
    • Dihydro-2,4,6-triethyl-1,3,5(4H)-dithiazine
    • TRIETHYLTHIALDINE
    • FEMA NO. 4748
    • DTXSID10338184
    • 2,4,6-Triethyl tetrahydro-1,3,5-dithiazine
    • 5,6-Dihydro-2,4,6-triethyl-4H-1,3,5-dithiazine
    • SCHEMBL4946971
    • DTXCID40289271
    • AKOS040768825
    • 2,4,6-Triethyl-1,3,5-dithiazinane #
    • NS00120005
    • 5,6-Dihydro-2,4,6-triethyl-(4H)1,3,5-dithiazine
    • Q27272869
    • 5,6-dihydro-2,4,6-triethyl-(4h)-1,3,5-dithiazine

  • Applications

    2,4,6-Triethyl-1,3,5-dithiazinane (CAS 54717-17-8) is a sulfur-rich heterocycle commonly employed as a synthetic intermediate in manufacturing high-potency dithiocarbamates and other organosulfur derivatives, a metal-corrosion inhibitor for oil-field pipelines, an extreme-pressure lubricant additive for engine oils, a thermo-oxidative stabilizer for plastic polymers, a sulfur-note fragrance modifier in flavor and fragrance formulations, and is also being studied as a versatile scaffold for next-generation antifungal and antibacterial agents.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 87.72
    methanol 58.53
    isopropanol 88.56
    water 0.07
    ethyl acetate 216.32
    n-propanol 108.64
    acetone 356.58
    n-butanol 110.18
    acetonitrile 117.31
    DMF 516.86
    toluene 230.5
    isobutanol 95.45
    1,4-dioxane 434.82
    methyl acetate 215.28
    THF 1003.64
    2-butanone 308.55
    n-pentanol 91.07
    sec-butanol 96.02
    n-hexane 11.63
    ethylene glycol 20.65
    NMP 781.94
    cyclohexane 57.62
    DMSO 533.8
    n-butyl acetate 346.02
    n-octanol 118.27
    chloroform 772.8
    n-propyl acetate 177.23
    acetic acid 139.42
    dichloromethane 651.6
    cyclohexanone 758.16
    propylene glycol 46.45
    isopropyl acetate 173.45
    DMAc 412.6
    2-ethoxyethanol 122.3
    isopentanol 98.65
    n-heptane 33.1
    ethyl formate 194.84
    1,2-dichloroethane 390.31
    n-hexanol 158.68
    2-methoxyethanol 178.22
    isobutyl acetate 145.94
    tetrachloromethane 147.46
    n-pentyl acetate 241.73
    transcutol 273.77
    n-heptanol 112.27
    ethylbenzene 95.23
    MIBK 160.24
    2-propoxyethanol 221.16
    tert-butanol 116.27
    MTBE 138.75
    2-butoxyethanol 154.89
    propionic acid 140.09
    o-xylene 141.93
    formic acid 19.32
    diethyl ether 130.85
    m-xylene 149.2
    p-xylene 142.79
    chlorobenzene 379.68
    dimethyl carbonate 101.24
    n-octane 18.84
    formamide 37.35
    cyclopentanone 996.27
    2-pentanone 267.93
    anisole 175.86
    cyclopentyl methyl ether 358.97
    gamma-butyrolactone 962.32
    1-methoxy-2-propanol 167.14
    pyridine 531.42
    3-pentanone 214.26
    furfural 748.69
    n-dodecane 19.05
    diethylene glycol 123.28
    diisopropyl ether 58.82
    tert-amyl alcohol 109.54
    acetylacetone 345.13
    n-hexadecane 23.19
    acetophenone 225.36
    methyl propionate 196.81
    isopentyl acetate 291.5
    trichloroethylene 851.6
    n-nonanol 108.6
    cyclohexanol 196.26
    benzyl alcohol 166.35
    2-ethylhexanol 135.24
    isooctanol 97.08
    dipropyl ether 164.17
    1,2-dichlorobenzene 342.14
    ethyl lactate 94.21
    propylene carbonate 555.66
    n-methylformamide 163.46
    2-pentanol 79.94
    n-pentane 14.91
    1-propoxy-2-propanol 213.22
    1-methoxy-2-propyl acetate 279.57
    2-(2-methoxypropoxy) propanol 148.77
    mesitylene 103.8
    ε-caprolactone 551.85
    p-cymene 117.85
    epichlorohydrin 690.69
    1,1,1-trichloroethane 450.74
    2-aminoethanol 46.06
    morpholine-4-carbaldehyde 551.99
    sulfolane 1218.02
    2,2,4-trimethylpentane 14.94
    2-methyltetrahydrofuran 571.57
    n-hexyl acetate 278.88
    isooctane 11.38
    2-(2-butoxyethoxy)ethanol 173.46
    sec-butyl acetate 127.0
    tert-butyl acetate 190.87
    decalin 29.66
    glycerin 67.94
    diglyme 348.74
    acrylic acid 127.9
    isopropyl myristate 127.06
    n-butyric acid 227.45
    acetyl acetate 185.05
    di(2-ethylhexyl) phthalate 129.92
    ethyl propionate 138.06
    nitromethane 268.61
    1,2-diethoxyethane 210.26
    benzonitrile 319.91
    trioctyl phosphate 109.16
    1-bromopropane 211.26
    gamma-valerolactone 939.52
    n-decanol 83.66
    triethyl phosphate 129.09
    4-methyl-2-pentanol 57.2
    propionitrile 149.15
    vinylene carbonate 474.67
    1,1,2-trichlorotrifluoroethane 390.82
    DMS 206.75
    cumene 72.67
    2-octanol 96.17
    2-hexanone 198.48
    octyl acetate 159.97
    limonene 178.51
    1,2-dimethoxyethane 269.62
    ethyl orthosilicate 113.38
    tributyl phosphate 124.19
    diacetone alcohol 180.61
    N,N-dimethylaniline 127.84
    acrylonitrile 188.37
    aniline 213.47
    1,3-propanediol 82.59
    bromobenzene 443.08
    dibromomethane 428.78
    1,1,2,2-tetrachloroethane 645.9
    2-methyl-cyclohexyl acetate 224.7
    tetrabutyl urea 169.45
    diisobutyl methanol 94.69
    2-phenylethanol 209.54
    styrene 136.22
    dioctyl adipate 178.84
    dimethyl sulfate 203.93
    ethyl butyrate 231.68
    methyl lactate 110.05
    butyl lactate 167.76
    diethyl carbonate 156.14
    propanediol butyl ether 148.12
    triethyl orthoformate 183.06
    p-tert-butyltoluene 114.71
    methyl 4-tert-butylbenzoate 213.63
    morpholine 415.83
    tert-butylamine 68.39
    n-dodecanol 68.21
    dimethoxymethane 244.37
    ethylene carbonate 383.17
    cyrene 228.88
    2-ethoxyethyl acetate 252.87
    2-ethylhexyl acetate 266.44
    1,2,4-trichlorobenzene 398.75
    4-methylpyridine 523.74
    dibutyl ether 155.25
    2,6-dimethyl-4-heptanol 94.69
    DEF 279.19
    dimethyl isosorbide 367.45
    tetrachloroethylene 387.07
    eugenol 187.91
    triacetin 247.21
    span 80 185.17
    1,4-butanediol 47.6
    1,1-dichloroethane 364.07
    2-methyl-1-pentanol 85.2
    methyl formate 166.38
    2-methyl-1-butanol 98.12
    n-decane 30.7
    butyronitrile 179.56
    3,7-dimethyl-1-octanol 114.66
    1-chlorooctane 121.26
    1-chlorotetradecane 53.43
    n-nonane 28.92
    undecane 23.28
    tert-butylcyclohexane 24.55
    cyclooctane 23.03
    cyclopentanol 273.06
    tetrahydropyran 457.47
    tert-amyl methyl ether 120.99
    2,5,8-trioxanonane 245.7
    1-hexene 52.58
    2-isopropoxyethanol 106.77
    2,2,2-trifluoroethanol 62.21
    methyl butyrate 209.81

    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