Thialdine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    638-17-5

    Molecular formula
    C6H13NS2

    SMILES
    C[C@@H]1N[C@@H](SC(S1)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Meaty 87.16%
    Roasted 78.07%
    Nutty 66.83%
    Sulfurous 60.98%
    Beefy 58.24%
    Cooked 51.67%
    Savory 41.17%
    Onion 38.92%
    Coffee 36.23%
    Hazelnut 35.89%

     

    Flavor
    Sulfurous 50.28%
    Roasted 47.27%
    Meaty 37.6%
    Vegetable 27.66%
    Alliaceous 27.07%
    Onion 26.39%
    Sulfur 25.27%
    Cocoa 25.22%
    Sulfury 24.04%
    Chicken 23.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    4.8 (weak acid)

    Molecular weight
    163.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    223°C

    Flash point

    • 88.26 ˚C est.

    Solubility expt.

    • Insoluble in water, heptane, triacetin
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 638-17-5
    • ZKG651IE9G
    • 5,6-Dihydro-2,4,6-trimethyl-1,3,5-dithiazine
    • 4H-1,3,5-Dithiazine, dihydro-2,4,6-trimethyl-
    • EINECS 211-323-3
    • (4R,6S)-2,4,6-trimethyl-1,3,5-dithiazinane
    • AI3-07709
    • FEMA NO. 4018
    • NSC-418
    • DTXSID001009930
    • 4H-1,3,5-Dithiazine, dihydro-2,4,6-trimethyl-, (2-alpha,4-alpha,6-alpha)-
    • 2,4,6-TRIMETHYLPERHYDRO-1,3-DITHIAZINE
    • 4H-1,3,5-Dithiazine, dihydro-2,4,6-trimethyl-, (2.alpha.,4.alpha.,6.alpha.)-
    • 2,4,6-TRIMETHYLDIHYDRO-4H-1,3,5-DITHIAZINE [FHFI]
    • 4H-1,3,5-Dithiazine, dihydro-2,4,6-trimethyl-, (2alpha,4alpha,6alpha)-
    • RefChem:897631
    • (+-)-THIALDINE
    • THIALDINE, (+-)-
    • DTXCID801516167
    • 2,4,6-TRIMETHYLDIHYDRO-4H-1,3,5-DITHIAZINE
    • THIALDINE
    • DIHYDRO-2,4,6-TRIMETHYL-1,3,5(4H)DITHIAZINE
    • UNII-ZKG651IE9G
    • (2a,4a,6a)-Dihydro-2,4,6-trimethyl-4H-1,3,5-dithiazine; 2,4,6-Trimethyldihydro-1,3,5-dithiazine; 2,4,6-Trimethylperhydro-1,3,5-dithiazine; 2,4,6-Trimethylperhydro-1,3-dithiazine;
    • (+/-)-THIALDINE
    • (2s,4R,6S)-2,4,6-trimethyl-1,3,5-dithiazinane
    • THIALDINE, (+/-)-
    • FBMVFHKKLDGLJA-FPFOFBBKSA-N
    • 638-17-5

  • Applications

    Thialdine (CAS 638-17-5) is a useful building block in organic synthesis, commonly acting as an intermediate to construct sulfur- and nitrogen-containing heterocycles; it may be employed as an odorant or fragrance ingredient in the perfumery sector and may be evaluated as a precursor for polymers/plastics to impart specific functionality; in industrial settings, thialdine can serve as an intermediate for coatings and inks, and it is also studied as a synthetic intermediate in pharmaceutical or crop-protection chemical synthesis; its use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 210.2
    methanol 267.9
    isopropanol 125.19
    water 5.92
    ethyl acetate 316.43
    n-propanol 163.07
    acetone 391.84
    n-butanol 150.93
    acetonitrile 227.81
    DMF 288.18
    toluene 155.07
    isobutanol 107.51
    1,4-dioxane 478.2
    methyl acetate 287.86
    THF 784.04
    2-butanone 291.43
    n-pentanol 87.87
    sec-butanol 111.31
    n-hexane 13.16
    ethylene glycol 62.89
    NMP 521.61
    cyclohexane 43.55
    DMSO 387.88
    n-butyl acetate 307.46
    n-octanol 106.02
    chloroform 610.64
    n-propyl acetate 161.17
    acetic acid 393.54
    dichloromethane 454.35
    cyclohexanone 529.37
    propylene glycol 76.4
    isopropyl acetate 178.72
    DMAc 266.19
    2-ethoxyethanol 155.57
    isopentanol 104.59
    n-heptane 33.99
    ethyl formate 226.46
    1,2-dichloroethane 251.58
    n-hexanol 183.69
    2-methoxyethanol 287.76
    isobutyl acetate 106.69
    tetrachloromethane 138.23
    n-pentyl acetate 183.64
    transcutol 444.77
    n-heptanol 104.78
    ethylbenzene 42.74
    MIBK 132.41
    2-propoxyethanol 304.27
    tert-butanol 134.66
    MTBE 146.78
    2-butoxyethanol 176.96
    propionic acid 227.85
    o-xylene 88.09
    formic acid 152.73
    diethyl ether 195.65
    m-xylene 103.51
    p-xylene 62.22
    chlorobenzene 232.48
    dimethyl carbonate 108.51
    n-octane 13.34
    formamide 155.73
    cyclopentanone 635.57
    2-pentanone 251.21
    anisole 122.63
    cyclopentyl methyl ether 317.64
    gamma-butyrolactone 756.63
    1-methoxy-2-propanol 198.35
    pyridine 345.95
    3-pentanone 208.54
    furfural 563.75
    n-dodecane 11.7
    diethylene glycol 218.8
    diisopropyl ether 68.27
    tert-amyl alcohol 114.23
    acetylacetone 300.41
    n-hexadecane 13.87
    acetophenone 134.14
    methyl propionate 219.93
    isopentyl acetate 233.37
    trichloroethylene 548.36
    n-nonanol 93.54
    cyclohexanol 195.32
    benzyl alcohol 103.49
    2-ethylhexanol 117.33
    isooctanol 74.18
    dipropyl ether 162.83
    1,2-dichlorobenzene 195.26
    ethyl lactate 80.14
    propylene carbonate 406.7
    n-methylformamide 218.68
    2-pentanol 99.41
    n-pentane 21.25
    1-propoxy-2-propanol 241.02
    1-methoxy-2-propyl acetate 287.15
    2-(2-methoxypropoxy) propanol 138.18
    mesitylene 66.9
    ε-caprolactone 432.82
    p-cymene 70.97
    epichlorohydrin 508.82
    1,1,1-trichloroethane 339.14
    2-aminoethanol 101.55
    morpholine-4-carbaldehyde 401.88
    sulfolane 670.41
    2,2,4-trimethylpentane 14.7
    2-methyltetrahydrofuran 477.15
    n-hexyl acetate 210.93
    isooctane 10.5
    2-(2-butoxyethoxy)ethanol 189.71
    sec-butyl acetate 102.81
    tert-butyl acetate 189.15
    decalin 16.59
    glycerin 125.0
    diglyme 331.36
    acrylic acid 217.27
    isopropyl myristate 87.5
    n-butyric acid 291.77
    acetyl acetate 281.27
    di(2-ethylhexyl) phthalate 87.52
    ethyl propionate 123.79
    nitromethane 547.99
    1,2-diethoxyethane 223.33
    benzonitrile 180.12
    trioctyl phosphate 72.03
    1-bromopropane 154.54
    gamma-valerolactone 689.69
    n-decanol 69.04
    triethyl phosphate 93.54
    4-methyl-2-pentanol 57.49
    propionitrile 155.77
    vinylene carbonate 352.75
    1,1,2-trichlorotrifluoroethane 335.16
    DMS 152.49
    cumene 35.15
    2-octanol 72.9
    2-hexanone 142.43
    octyl acetate 118.22
    limonene 117.57
    1,2-dimethoxyethane 209.91
    ethyl orthosilicate 90.63
    tributyl phosphate 85.48
    diacetone alcohol 164.89
    N,N-dimethylaniline 74.46
    acrylonitrile 186.9
    aniline 182.21
    1,3-propanediol 144.29
    bromobenzene 225.8
    dibromomethane 298.27
    1,1,2,2-tetrachloroethane 385.37
    2-methyl-cyclohexyl acetate 152.69
    tetrabutyl urea 101.32
    diisobutyl methanol 66.83
    2-phenylethanol 150.47
    styrene 57.89
    dioctyl adipate 116.08
    dimethyl sulfate 161.77
    ethyl butyrate 183.47
    methyl lactate 119.46
    butyl lactate 128.86
    diethyl carbonate 119.69
    propanediol butyl ether 144.68
    triethyl orthoformate 144.61
    p-tert-butyltoluene 73.63
    methyl 4-tert-butylbenzoate 151.91
    morpholine 425.38
    tert-butylamine 79.06
    n-dodecanol 53.38
    dimethoxymethane 237.01
    ethylene carbonate 310.29
    cyrene 164.28
    2-ethoxyethyl acetate 241.0
    2-ethylhexyl acetate 202.78
    1,2,4-trichlorobenzene 239.03
    4-methylpyridine 309.64
    dibutyl ether 121.61
    2,6-dimethyl-4-heptanol 66.83
    DEF 218.12
    dimethyl isosorbide 296.85
    tetrachloroethylene 285.76
    eugenol 131.29
    triacetin 192.62
    span 80 153.35
    1,4-butanediol 61.12
    1,1-dichloroethane 273.74
    2-methyl-1-pentanol 69.46
    methyl formate 217.53
    2-methyl-1-butanol 106.3
    n-decane 20.67
    butyronitrile 172.31
    3,7-dimethyl-1-octanol 93.77
    1-chlorooctane 79.38
    1-chlorotetradecane 32.74
    n-nonane 19.7
    undecane 14.97
    tert-butylcyclohexane 16.7
    cyclooctane 19.59
    cyclopentanol 224.87
    tetrahydropyran 416.22
    tert-amyl methyl ether 125.57
    2,5,8-trioxanonane 235.02
    1-hexene 42.52
    2-isopropoxyethanol 114.7
    2,2,2-trifluoroethanol 195.08
    methyl butyrate 152.02

    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