4,6-Dimethyl-2-propyl-1,3,5-dithiazinane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    104691-38-5

    Molecular formula
    C8H17NS2

    SMILES
    CCCC1SC(NC(S1)C)C

    Safety labels

  • Odor profile

    Fragrance
    Meaty 82.23%
    Roasted 78.54%
    Nutty 71.9%
    Sulfurous 51.76%
    Beefy 50.05%
    Cooked 49.69%
    Savory 41.5%
    Onion 39.4%
    Cocoa 37.12%
    Hazelnut 36.97%

     

    Flavor
    Sulfurous 50.58%
    Roasted 45.69%
    Meaty 32.77%
    Vegetable 27.61%
    Sulfury 25.42%
    Alliaceous 25.2%
    Cocoa 25.08%
    Onion 25.04%
    Green 24.28%
    Chicken 24.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    4.62 (weak acid)

    Molecular weight
    191.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 106.46 ˚C est.

  • Synonyms

    • 4,6-dimethyl-2-propyl-1,3,5-dithiazinane
    • 104691-38-5
    • SCHEMBL10514532
    • DTXSID40761567
    • BLPPMRPCYSNRGW-UHFFFAOYSA-N
    • 104691-38-5

  • Applications

    4,6-Dimethyl-2-propyl-1,3,5-dithiazinane is primarily used as an organic intermediate in chemical synthesis and is commonly evaluated as a building block for heterocyclic compounds in pharmaceutical and agrochemical development. It may also serve as a precursor or functional building block in polymer and plastics chemistry for specialty resins or coatings, and can be explored as a reactive intermediate in coatings formulations or as a processing aid in industrial manufacturing, subject to applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 169.37
    methanol 158.54
    isopropanol 137.98
    water 0.35
    ethyl acetate 288.99
    n-propanol 166.9
    acetone 458.14
    n-butanol 167.22
    acetonitrile 195.3
    DMF 438.35
    toluene 251.81
    isobutanol 137.72
    1,4-dioxane 549.1
    methyl acetate 246.78
    THF 1209.96
    2-butanone 319.08
    n-pentanol 112.83
    sec-butanol 126.49
    n-hexane 17.84
    ethylene glycol 41.09
    NMP 679.64
    cyclohexane 86.22
    DMSO 580.82
    n-butyl acetate 382.33
    n-octanol 134.35
    chloroform 692.72
    n-propyl acetate 179.13
    acetic acid 235.65
    dichloromethane 609.83
    cyclohexanone 828.41
    propylene glycol 72.11
    isopropyl acetate 201.38
    DMAc 312.47
    2-ethoxyethanol 139.23
    isopentanol 135.4
    n-heptane 53.9
    ethyl formate 217.56
    1,2-dichloroethane 345.58
    n-hexanol 245.82
    2-methoxyethanol 227.49
    isobutyl acetate 148.28
    tetrachloromethane 159.98
    n-pentyl acetate 220.57
    transcutol 367.45
    n-heptanol 124.97
    ethylbenzene 79.54
    MIBK 179.07
    2-propoxyethanol 306.21
    tert-butanol 160.06
    MTBE 167.6
    2-butoxyethanol 168.31
    propionic acid 192.14
    o-xylene 134.96
    formic acid 47.4
    diethyl ether 189.83
    m-xylene 167.83
    p-xylene 112.31
    chlorobenzene 328.1
    dimethyl carbonate 119.44
    n-octane 21.14
    formamide 61.49
    cyclopentanone 1060.93
    2-pentanone 308.15
    anisole 157.29
    cyclopentyl methyl ether 440.19
    gamma-butyrolactone 974.86
    1-methoxy-2-propanol 192.86
    pyridine 495.32
    3-pentanone 249.39
    furfural 663.55
    n-dodecane 18.69
    diethylene glycol 185.93
    diisopropyl ether 77.61
    tert-amyl alcohol 132.85
    acetylacetone 381.55
    n-hexadecane 22.65
    acetophenone 179.54
    methyl propionate 236.71
    isopentyl acetate 308.82
    trichloroethylene 685.32
    n-nonanol 118.78
    cyclohexanol 271.18
    benzyl alcohol 144.41
    2-ethylhexanol 169.87
    isooctanol 96.8
    dipropyl ether 216.98
    1,2-dichlorobenzene 257.18
    ethyl lactate 93.03
    propylene carbonate 540.45
    n-methylformamide 187.95
    2-pentanol 109.23
    n-pentane 27.01
    1-propoxy-2-propanol 256.79
    1-methoxy-2-propyl acetate 331.29
    2-(2-methoxypropoxy) propanol 156.98
    mesitylene 108.44
    ε-caprolactone 568.84
    p-cymene 113.47
    epichlorohydrin 640.53
    1,1,1-trichloroethane 418.82
    2-aminoethanol 75.34
    morpholine-4-carbaldehyde 520.39
    sulfolane 1089.11
    2,2,4-trimethylpentane 18.65
    2-methyltetrahydrofuran 664.62
    n-hexyl acetate 279.22
    isooctane 14.56
    2-(2-butoxyethoxy)ethanol 202.65
    sec-butyl acetate 120.79
    tert-butyl acetate 218.87
    decalin 30.86
    glycerin 100.79
    diglyme 358.49
    acrylic acid 165.23
    isopropyl myristate 121.93
    n-butyric acid 308.9
    acetyl acetate 243.85
    di(2-ethylhexyl) phthalate 125.2
    ethyl propionate 138.45
    nitromethane 365.49
    1,2-diethoxyethane 231.61
    benzonitrile 258.85
    trioctyl phosphate 106.88
    1-bromopropane 215.63
    gamma-valerolactone 910.64
    n-decanol 91.75
    triethyl phosphate 115.35
    4-methyl-2-pentanol 69.65
    propionitrile 187.19
    vinylene carbonate 459.91
    1,1,2-trichlorotrifluoroethane 382.55
    DMS 189.0
    cumene 61.44
    2-octanol 96.57
    2-hexanone 193.99
    octyl acetate 160.1
    limonene 195.32
    1,2-dimethoxyethane 261.32
    ethyl orthosilicate 111.25
    tributyl phosphate 119.32
    diacetone alcohol 198.86
    N,N-dimethylaniline 105.1
    acrylonitrile 205.92
    aniline 233.29
    1,3-propanediol 119.92
    bromobenzene 357.18
    dibromomethane 420.73
    1,1,2,2-tetrachloroethane 513.91
    2-methyl-cyclohexyl acetate 221.13
    tetrabutyl urea 152.82
    diisobutyl methanol 102.75
    2-phenylethanol 215.18
    styrene 105.74
    dioctyl adipate 163.17
    dimethyl sulfate 189.62
    ethyl butyrate 230.69
    methyl lactate 123.77
    butyl lactate 160.83
    diethyl carbonate 147.12
    propanediol butyl ether 168.69
    triethyl orthoformate 176.95
    p-tert-butyltoluene 112.66
    methyl 4-tert-butylbenzoate 192.55
    morpholine 503.6
    tert-butylamine 97.34
    n-dodecanol 74.23
    dimethoxymethane 284.05
    ethylene carbonate 402.73
    cyrene 216.55
    2-ethoxyethyl acetate 253.47
    2-ethylhexyl acetate 273.03
    1,2,4-trichlorobenzene 308.57
    4-methylpyridine 467.38
    dibutyl ether 168.57
    2,6-dimethyl-4-heptanol 102.75
    DEF 269.21
    dimethyl isosorbide 369.31
    tetrachloroethylene 328.5
    eugenol 164.62
    triacetin 221.72
    span 80 194.8
    1,4-butanediol 60.24
    1,1-dichloroethane 354.31
    2-methyl-1-pentanol 94.66
    methyl formate 197.88
    2-methyl-1-butanol 130.16
    n-decane 32.98
    butyronitrile 226.57
    3,7-dimethyl-1-octanol 126.75
    1-chlorooctane 124.29
    1-chlorotetradecane 51.25
    n-nonane 31.94
    undecane 23.92
    tert-butylcyclohexane 25.63
    cyclooctane 34.62
    cyclopentanol 334.47
    tetrahydropyran 600.37
    tert-amyl methyl ether 138.62
    2,5,8-trioxanonane 259.15
    1-hexene 67.62
    2-isopropoxyethanol 115.98
    2,2,2-trifluoroethanol 93.4
    methyl butyrate 196.67

    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