2,4,6-Trimethyl-1,3,5-thiadiazinane

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  • Identifiers

    CAS number
    53897-63-5

    Molecular formula
    C6H14N2S

    SMILES
    CC1NC(SC(N1)C)C

  • Odor profile

    Fragrance
    Meaty 82.02%
    Roasted 77.3%
    Nutty 76.0%
    Beefy 51.28%
    Cooked 45.78%
    Popcorn 43.48%
    Fishy 40.44%
    Cocoa 38.86%
    Hazelnut 36.95%
    Savory 34.67%

     

    Flavor
    Roasted 38.7%
    Sulfurous 31.2%
    Bitter 24.88%
    Meaty 23.7%
    Alkaline 22.36%
    Odorless 22.34%
    Bouillon 22.19%
    Shrimp 20.72%
    Cauliflower 20.68%
    Sweet-like 20.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.48 (neutral)

    Molecular weight
    146.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    203°C

    Flash point

    • 82.95 ˚C est.

  • Synonyms

    • 2,4,6-Trimethyl-1,3,5-thiadiazinane
    • 53897-63-5
    • DTXSID70336005
    • 3,4,5,6-Tetrahydro-2,4,6-trimethyl-2H-1,3,5-thiadiazine
    • 1,3,5-Thiadiazine, perhydro, 2,4,6-trimethyl, #2
    • DTXCID80287094
    • PLCVUJTXVJDGBN-UHFFFAOYSA-N
    • AKOS006354073
    • 2,4,6-Trimethyl-1,3,5-thiadiazinane #
    • NS00124392
    • 1,3,5-Thiadiazine, perhydro-2,4,6-trimethyl
    • 2,4,6-Trimethyltetrahydro-1,3,5-thiadiazine
    • 1,3,5-Thiadiazine, perhydro, 2,4,6-trimethyl, #1
    • TETRAHYDRO-2,4,6-TRIMETHYL-1,3,5(2H)-THIADIAZINE
    • 3,4,5,6-tetrahydro-2,4,6-trimethyl-2h-1,3,5-thiadiazin

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 147.87
    methanol 237.39
    isopropanol 71.81
    water 30.9
    ethyl acetate 126.87
    n-propanol 101.64
    acetone 169.55
    n-butanol 81.62
    acetonitrile 106.99
    DMF 169.87
    toluene 42.48
    isobutanol 59.37
    1,4-dioxane 172.89
    methyl acetate 134.09
    THF 326.61
    2-butanone 128.37
    n-pentanol 50.66
    sec-butanol 61.94
    n-hexane 4.95
    ethylene glycol 74.83
    NMP 322.48
    cyclohexane 12.5
    DMSO 242.91
    n-butyl acetate 118.05
    n-octanol 48.37
    chloroform 243.78
    n-propyl acetate 61.97
    acetic acid 394.0
    dichloromethane 178.8
    cyclohexanone 227.72
    propylene glycol 77.5
    isopropyl acetate 69.63
    DMAc 178.14
    2-ethoxyethanol 86.4
    isopentanol 50.13
    n-heptane 10.96
    ethyl formate 108.29
    1,2-dichloroethane 93.66
    n-hexanol 90.76
    2-methoxyethanol 176.47
    isobutyl acetate 42.59
    tetrachloromethane 52.17
    n-pentyl acetate 74.6
    transcutol 226.16
    n-heptanol 49.33
    ethylbenzene 10.71
    MIBK 44.91
    2-propoxyethanol 165.99
    tert-butanol 64.38
    MTBE 54.76
    2-butoxyethanol 93.02
    propionic acid 179.81
    o-xylene 27.45
    formic acid 216.48
    diethyl ether 65.76
    m-xylene 29.81
    p-xylene 18.79
    chlorobenzene 75.99
    dimethyl carbonate 43.36
    n-octane 4.41
    formamide 155.35
    cyclopentanone 295.41
    2-pentanone 96.25
    anisole 34.27
    cyclopentyl methyl ether 123.01
    gamma-butyrolactone 373.59
    1-methoxy-2-propanol 105.48
    pyridine 135.03
    3-pentanone 82.13
    furfural 285.02
    n-dodecane 3.88
    diethylene glycol 140.87
    diisopropyl ether 18.94
    tert-amyl alcohol 59.96
    acetylacetone 113.94
    n-hexadecane 4.4
    acetophenone 49.2
    methyl propionate 100.19
    isopentyl acetate 86.58
    trichloroethylene 204.88
    n-nonanol 42.19
    cyclohexanol 92.64
    benzyl alcohol 44.26
    2-ethylhexanol 49.9
    isooctanol 34.79
    dipropyl ether 51.94
    1,2-dichlorobenzene 65.58
    ethyl lactate 42.01
    propylene carbonate 191.03
    n-methylformamide 144.59
    2-pentanol 45.64
    n-pentane 7.37
    1-propoxy-2-propanol 120.49
    1-methoxy-2-propyl acetate 113.87
    2-(2-methoxypropoxy) propanol 74.07
    mesitylene 17.97
    ε-caprolactone 199.38
    p-cymene 23.67
    epichlorohydrin 207.52
    1,1,1-trichloroethane 109.92
    2-aminoethanol 100.38
    morpholine-4-carbaldehyde 204.11
    sulfolane 361.04
    2,2,4-trimethylpentane 5.14
    2-methyltetrahydrofuran 195.93
    n-hexyl acetate 88.49
    isooctane 3.14
    2-(2-butoxyethoxy)ethanol 95.34
    sec-butyl acetate 36.32
    tert-butyl acetate 63.71
    decalin 4.88
    glycerin 123.26
    diglyme 154.4
    acrylic acid 169.9
    isopropyl myristate 33.16
    n-butyric acid 174.82
    acetyl acetate 109.08
    di(2-ethylhexyl) phthalate 42.87
    ethyl propionate 47.94
    nitromethane 356.84
    1,2-diethoxyethane 79.24
    benzonitrile 71.42
    trioctyl phosphate 35.05
    1-bromopropane 55.59
    gamma-valerolactone 317.66
    n-decanol 31.17
    triethyl phosphate 38.75
    4-methyl-2-pentanol 23.67
    propionitrile 71.21
    vinylene carbonate 157.5
    1,1,2-trichlorotrifluoroethane 205.36
    DMS 71.25
    cumene 10.36
    2-octanol 33.07
    2-hexanone 54.09
    octyl acetate 49.78
    limonene 37.24
    1,2-dimethoxyethane 85.42
    ethyl orthosilicate 37.19
    tributyl phosphate 41.12
    diacetone alcohol 69.85
    N,N-dimethylaniline 24.25
    acrylonitrile 90.2
    aniline 73.37
    1,3-propanediol 106.07
    bromobenzene 64.14
    dibromomethane 115.34
    1,1,2,2-tetrachloroethane 160.38
    2-methyl-cyclohexyl acetate 64.05
    tetrabutyl urea 48.82
    diisobutyl methanol 24.92
    2-phenylethanol 65.03
    styrene 14.96
    dioctyl adipate 50.32
    dimethyl sulfate 80.39
    ethyl butyrate 68.17
    methyl lactate 69.65
    butyl lactate 65.26
    diethyl carbonate 46.89
    propanediol butyl ether 82.62
    triethyl orthoformate 56.36
    p-tert-butyltoluene 24.02
    methyl 4-tert-butylbenzoate 68.31
    morpholine 178.63
    tert-butylamine 34.55
    n-dodecanol 24.0
    dimethoxymethane 90.43
    ethylene carbonate 133.62
    cyrene 80.98
    2-ethoxyethyl acetate 104.46
    2-ethylhexyl acetate 76.57
    1,2,4-trichlorobenzene 89.72
    4-methylpyridine 111.23
    dibutyl ether 39.87
    2,6-dimethyl-4-heptanol 24.92
    DEF 100.26
    dimethyl isosorbide 132.81
    tetrachloroethylene 125.46
    eugenol 63.36
    triacetin 92.38
    span 80 78.72
    1,4-butanediol 45.12
    1,1-dichloroethane 97.23
    2-methyl-1-pentanol 36.9
    methyl formate 126.87
    2-methyl-1-butanol 54.39
    n-decane 6.69
    butyronitrile 72.47
    3,7-dimethyl-1-octanol 40.17
    1-chlorooctane 27.21
    1-chlorotetradecane 10.85
    n-nonane 6.48
    undecane 4.89
    tert-butylcyclohexane 5.11
    cyclooctane 5.22
    cyclopentanol 126.69
    tetrahydropyran 154.34
    tert-amyl methyl ether 50.47
    2,5,8-trioxanonane 114.66
    1-hexene 14.41
    2-isopropoxyethanol 58.86
    2,2,2-trifluoroethanol 175.93
    methyl butyrate 62.05

    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