4-Ethyldihydro-2,6-dimethyl-4H-1,3,5-dithiazine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    54717-13-4

    Molecular formula
    C7H15NS2

    SMILES
    CCC1NC(SC(S1)C)C

    Safety labels

  • Odor profile

    Fragrance
    Meaty 83.16%
    Roasted 77.22%
    Nutty 67.46%
    Sulfurous 60.08%
    Beefy 53.01%
    Cooked 51.51%
    Onion 43.77%
    Savory 43.02%
    Alliaceous 34.6%
    Hazelnut 33.93%

     

    Flavor
    Sulfurous 53.55%
    Roasted 46.49%
    Meaty 33.88%
    Vegetable 27.42%
    Onion 26.81%
    Alliaceous 26.68%
    Chicken 24.42%
    Cocoa 24.18%
    Sulfury 24.01%
    Bouillon 23.23%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    4.79 (weak acid)

    Molecular weight
    177.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    234°C

    Flash point

    • 95.67 ˚C est.

  • Synonyms

    • S61GBH610E
    • Fema No. 4667, 4-ethyl-
    • UNII-S61GBH610E
    • 54717-13-4
    • 4-Ethyldihydro-2,6-dimethyl-4H-1,3,5-dithiazine
    • RefChem:198669
    • 4-ETHYL-2,6-DIMETHYLDIHYDRO-1,3,5-DITHIAZINE
    • 1,3,5-Dithiazine, perhydro, 4-ethyl-2,6-dimethyl, #2
    • 4-Ethyl-2,6-dimethyldihydro-1,3,5- dithiazine
    • 5,6-Dihydro-6-ethyl-2,4-dimethyl-4H-1,3,5-dithiazine
    • SCHEMBL10514098
    • 1,3,5-Dithiazine, perhydro, 4-ethyl-2,6-dimethyl, #1
    • ZORZRADCTZBZSE-UHFFFAOYSA-N
    • DTXSID701376924
    • 1,3,5-Dithiazine, perhydro, 6-ethyl-2,4-dimethyl
    • 54717-13-4

  • Applications

    4-Ethyldihydro-2,6-dimethyl-4H-1,3,5-dithiazine (CAS 54717-13-4) is primarily used as an intermediate and building block in organic synthesis to access more complex sulfur-nitrogen heterocycles with relevance to pharmaceutical and agrochemical R&D. It may serve as a precursor for routes to heterocyclic scaffolds and functionalized derivatives. In industrial manufacturing, it can function as a specialty polymer or coating building block, or as a component in formulations based on sulfur-containing rings; it is also explored as a scaffold for dyes, pigments, and electronic materials in research settings. Use is typically project- and formulation-specific and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 300.87
    methanol 316.97
    isopropanol 255.34
    water 1.48
    ethyl acetate 495.61
    n-propanol 280.59
    acetone 830.9
    n-butanol 263.82
    acetonitrile 373.03
    DMF 662.39
    toluene 306.6
    isobutanol 220.96
    1,4-dioxane 802.81
    methyl acetate 438.31
    THF 1531.49
    2-butanone 549.56
    n-pentanol 176.89
    sec-butanol 209.69
    n-hexane 16.61
    ethylene glycol 86.46
    NMP 818.6
    cyclohexane 51.02
    DMSO 962.87
    n-butyl acetate 538.43
    n-octanol 196.87
    chloroform 942.93
    n-propyl acetate 287.34
    acetic acid 379.96
    dichloromethane 716.59
    cyclohexanone 1042.57
    propylene glycol 138.45
    isopropyl acetate 360.33
    DMAc 475.68
    2-ethoxyethanol 275.95
    isopentanol 224.62
    n-heptane 41.19
    ethyl formate 351.88
    1,2-dichloroethane 445.23
    n-hexanol 330.3
    2-methoxyethanol 487.98
    isobutyl acetate 217.51
    tetrachloromethane 201.84
    n-pentyl acetate 318.43
    transcutol 694.83
    n-heptanol 189.82
    ethylbenzene 87.12
    MIBK 309.99
    2-propoxyethanol 532.04
    tert-butanol 308.75
    MTBE 319.1
    2-butoxyethanol 299.56
    propionic acid 323.26
    o-xylene 162.82
    formic acid 107.76
    diethyl ether 326.46
    m-xylene 210.89
    p-xylene 122.09
    chlorobenzene 448.83
    dimethyl carbonate 193.79
    n-octane 19.99
    formamide 124.13
    cyclopentanone 1314.33
    2-pentanone 512.38
    anisole 233.36
    cyclopentyl methyl ether 625.5
    gamma-butyrolactone 1237.22
    1-methoxy-2-propanol 426.4
    pyridine 624.25
    3-pentanone 372.04
    furfural 969.96
    n-dodecane 19.58
    diethylene glycol 367.12
    diisopropyl ether 132.59
    tert-amyl alcohol 239.1
    acetylacetone 664.83
    n-hexadecane 23.28
    acetophenone 252.18
    methyl propionate 372.65
    isopentyl acetate 436.17
    trichloroethylene 956.96
    n-nonanol 165.04
    cyclohexanol 330.06
    benzyl alcohol 199.56
    2-ethylhexanol 216.4
    isooctanol 150.55
    dipropyl ether 269.87
    1,2-dichlorobenzene 363.07
    ethyl lactate 141.35
    propylene carbonate 671.58
    n-methylformamide 325.73
    2-pentanol 185.57
    n-pentane 24.9
    1-propoxy-2-propanol 414.78
    1-methoxy-2-propyl acetate 463.88
    2-(2-methoxypropoxy) propanol 226.44
    mesitylene 140.82
    ε-caprolactone 751.68
    p-cymene 122.39
    epichlorohydrin 921.43
    1,1,1-trichloroethane 600.16
    2-aminoethanol 148.97
    morpholine-4-carbaldehyde 724.24
    sulfolane 1386.18
    2,2,4-trimethylpentane 24.17
    2-methyltetrahydrofuran 902.83
    n-hexyl acetate 384.54
    isooctane 21.99
    2-(2-butoxyethoxy)ethanol 307.36
    sec-butyl acetate 201.12
    tert-butyl acetate 403.26
    decalin 28.58
    glycerin 209.46
    diglyme 553.06
    acrylic acid 283.27
    isopropyl myristate 155.95
    n-butyric acid 509.29
    acetyl acetate 398.55
    di(2-ethylhexyl) phthalate 142.94
    ethyl propionate 219.08
    nitromethane 692.35
    1,2-diethoxyethane 352.86
    benzonitrile 366.68
    trioctyl phosphate 123.12
    1-bromopropane 261.32
    gamma-valerolactone 1304.71
    n-decanol 121.44
    triethyl phosphate 145.9
    4-methyl-2-pentanol 129.2
    propionitrile 288.32
    vinylene carbonate 586.11
    1,1,2-trichlorotrifluoroethane 543.67
    DMS 262.97
    cumene 74.98
    2-octanol 146.47
    2-hexanone 307.08
    octyl acetate 199.95
    limonene 198.5
    1,2-dimethoxyethane 448.36
    ethyl orthosilicate 140.17
    tributyl phosphate 142.5
    diacetone alcohol 365.16
    N,N-dimethylaniline 155.36
    acrylonitrile 345.46
    aniline 322.77
    1,3-propanediol 243.41
    bromobenzene 465.19
    dibromomethane 482.64
    1,1,2,2-tetrachloroethane 678.45
    2-methyl-cyclohexyl acetate 251.58
    tetrabutyl urea 168.89
    diisobutyl methanol 139.51
    2-phenylethanol 269.94
    styrene 122.06
    dioctyl adipate 190.11
    dimethyl sulfate 327.58
    ethyl butyrate 297.09
    methyl lactate 210.86
    butyl lactate 224.05
    diethyl carbonate 189.27
    propanediol butyl ether 271.15
    triethyl orthoformate 219.26
    p-tert-butyltoluene 127.58
    methyl 4-tert-butylbenzoate 261.31
    morpholine 693.02
    tert-butylamine 166.37
    n-dodecanol 93.76
    dimethoxymethane 485.14
    ethylene carbonate 516.58
    cyrene 273.15
    2-ethoxyethyl acetate 394.88
    2-ethylhexyl acetate 359.66
    1,2,4-trichlorobenzene 425.32
    4-methylpyridine 638.48
    dibutyl ether 220.63
    2,6-dimethyl-4-heptanol 139.51
    DEF 418.83
    dimethyl isosorbide 465.25
    tetrachloroethylene 439.73
    eugenol 236.12
    triacetin 314.84
    span 80 243.57
    1,4-butanediol 110.34
    1,1-dichloroethane 515.45
    2-methyl-1-pentanol 150.56
    methyl formate 343.0
    2-methyl-1-butanol 211.09
    n-decane 33.49
    butyronitrile 366.19
    3,7-dimethyl-1-octanol 175.63
    1-chlorooctane 155.79
    1-chlorotetradecane 59.28
    n-nonane 32.83
    undecane 24.61
    tert-butylcyclohexane 30.73
    cyclooctane 26.05
    cyclopentanol 402.28
    tetrahydropyran 770.19
    tert-amyl methyl ether 239.04
    2,5,8-trioxanonane 356.96
    1-hexene 72.85
    2-isopropoxyethanol 212.96
    2,2,2-trifluoroethanol 186.43
    methyl butyrate 292.91

    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