2-(Furan-2-yl)-4,6-dimethyl-1,3,5-dithiazinane

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  • Identifiers

    CAS number
    142062-38-2

    Molecular formula
    C9H13NOS2

    SMILES
    CC1NC(SC(S1)C2=CC=CO2)C

    Safety labels

  • Odor profile

    Fragrance
    Meaty 85.64%
    Roasted 80.1%
    Nutty 66.47%
    Beefy 55.7%
    Sulfurous 55.13%
    Cooked 50.25%
    Coffee 41.88%
    Savory 40.79%
    Burnt 35.91%
    Hazelnut 33.62%

     

    Flavor
    Roasted 56.74%
    Meaty 40.35%
    Sulfurous 32.39%
    Coffee 29.04%
    Sulfury 28.35%
    Chicken 26.03%
    Vegetable 25.54%
    Cooked 24.31%
    Onion 24.21%
    Bitter 24.19%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    3.91 (weak acid)

    Molecular weight
    215.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    338°C

    Flash point

    • 138.63 ˚C est.

  • Synonyms

    • 142062-38-2
    • 2-(Furan-2-yl)-4,6-dimethyl-1,3,5-dithiazinane
    • 4H-1,3,5-Dithiazine, 2-(2-furanyl)dihydro-4,6-dimethyl-
    • SCHEMBL9534606
    • FEMA NO. 4979
    • DTXSID70569710
    • 38XG462A2C
    • 2-(2-Furanyl)dihydro-4,6-dimethyl-4H-1,3,5-dithiazine
    • 142062-38-2

  • Applications

    2-(Furan-2-yl)-4,6-dimethyl-1,3,5-dithiazinane (CAS 142062-38-2) is typically used as an intermediate in organic synthesis; in addition, its furyl substituent may drive evaluation for fragrance-related applications, potentially acting as an odorant or fragrance precursor in perfumery and cosmetics. In polymer and coatings chemistry, the heterocyclic framework can serve as a reactive building block or crosslinking component, supporting specialty plastics, coatings, and inks formulations. It may also appear as a processing intermediate or additive in industrial manufacturing, influencing reactivity or compatibility in downstream synthetic routes. Overall, the compound is primarily considered as an intermediate with potential niche applications in fragrance and polymer systems, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 41.77
    methanol 57.42
    isopropanol 30.24
    water 1.58
    ethyl acetate 50.82
    n-propanol 38.88
    acetone 96.85
    n-butanol 34.16
    acetonitrile 50.1
    DMF 325.64
    toluene 44.21
    isobutanol 32.96
    1,4-dioxane 141.69
    methyl acetate 60.07
    THF 202.47
    2-butanone 73.13
    n-pentanol 32.72
    sec-butanol 27.1
    n-hexane 0.64
    ethylene glycol 39.63
    NMP 259.15
    cyclohexane 4.35
    DMSO 322.16
    n-butyl acetate 51.25
    n-octanol 37.48
    chloroform 214.42
    n-propyl acetate 39.38
    acetic acid 77.27
    dichloromethane 196.13
    cyclohexanone 168.85
    propylene glycol 42.89
    isopropyl acetate 30.37
    DMAc 245.24
    2-ethoxyethanol 72.38
    isopentanol 29.28
    n-heptane 2.66
    ethyl formate 65.3
    1,2-dichloroethane 90.81
    n-hexanol 48.57
    2-methoxyethanol 117.34
    isobutyl acetate 32.59
    tetrachloromethane 19.75
    n-pentyl acetate 45.83
    transcutol 143.79
    n-heptanol 32.65
    ethylbenzene 19.04
    MIBK 35.17
    2-propoxyethanol 107.66
    tert-butanol 33.73
    MTBE 18.98
    2-butoxyethanol 65.06
    propionic acid 59.22
    o-xylene 30.36
    formic acid 35.46
    diethyl ether 19.69
    m-xylene 30.91
    p-xylene 25.86
    chlorobenzene 80.53
    dimethyl carbonate 39.81
    n-octane 1.88
    formamide 51.84
    cyclopentanone 211.83
    2-pentanone 56.14
    anisole 52.14
    cyclopentyl methyl ether 66.24
    gamma-butyrolactone 215.45
    1-methoxy-2-propanol 83.03
    pyridine 145.83
    3-pentanone 46.08
    furfural 246.56
    n-dodecane 2.92
    diethylene glycol 116.34
    diisopropyl ether 7.26
    tert-amyl alcohol 27.83
    acetylacetone 83.41
    n-hexadecane 3.44
    acetophenone 72.31
    methyl propionate 58.33
    isopentyl acetate 47.33
    trichloroethylene 218.55
    n-nonanol 36.1
    cyclohexanol 55.46
    benzyl alcohol 70.5
    2-ethylhexanol 33.25
    isooctanol 26.9
    dipropyl ether 23.98
    1,2-dichlorobenzene 74.97
    ethyl lactate 42.22
    propylene carbonate 125.29
    n-methylformamide 110.09
    2-pentanol 18.94
    n-pentane 1.01
    1-propoxy-2-propanol 72.89
    1-methoxy-2-propyl acetate 70.87
    2-(2-methoxypropoxy) propanol 67.93
    mesitylene 18.32
    ε-caprolactone 130.59
    p-cymene 24.15
    epichlorohydrin 186.27
    1,1,1-trichloroethane 70.61
    2-aminoethanol 48.32
    morpholine-4-carbaldehyde 249.07
    sulfolane 277.49
    2,2,4-trimethylpentane 1.51
    2-methyltetrahydrofuran 99.33
    n-hexyl acetate 58.8
    isooctane 1.22
    2-(2-butoxyethoxy)ethanol 84.92
    sec-butyl acetate 26.16
    tert-butyl acetate 31.79
    decalin 3.44
    glycerin 80.66
    diglyme 137.37
    acrylic acid 71.47
    isopropyl myristate 27.61
    n-butyric acid 68.29
    acetyl acetate 45.16
    di(2-ethylhexyl) phthalate 42.69
    ethyl propionate 33.82
    nitromethane 142.31
    1,2-diethoxyethane 53.44
    benzonitrile 92.82
    trioctyl phosphate 30.15
    1-bromopropane 32.87
    gamma-valerolactone 278.57
    n-decanol 28.69
    triethyl phosphate 30.01
    4-methyl-2-pentanol 15.07
    propionitrile 43.96
    vinylene carbonate 130.18
    1,1,2-trichlorotrifluoroethane 165.03
    DMS 52.82
    cumene 16.29
    2-octanol 24.08
    2-hexanone 42.82
    octyl acetate 39.16
    limonene 30.03
    1,2-dimethoxyethane 98.04
    ethyl orthosilicate 27.95
    tributyl phosphate 31.86
    diacetone alcohol 53.97
    N,N-dimethylaniline 43.02
    acrylonitrile 70.53
    aniline 66.22
    1,3-propanediol 56.34
    bromobenzene 79.12
    dibromomethane 101.8
    1,1,2,2-tetrachloroethane 162.46
    2-methyl-cyclohexyl acetate 49.12
    tetrabutyl urea 49.26
    diisobutyl methanol 19.7
    2-phenylethanol 75.91
    styrene 24.89
    dioctyl adipate 44.78
    dimethyl sulfate 75.57
    ethyl butyrate 41.5
    methyl lactate 59.05
    butyl lactate 53.07
    diethyl carbonate 32.55
    propanediol butyl ether 70.29
    triethyl orthoformate 35.97
    p-tert-butyltoluene 21.73
    methyl 4-tert-butylbenzoate 68.6
    morpholine 138.03
    tert-butylamine 16.05
    n-dodecanol 22.69
    dimethoxymethane 106.92
    ethylene carbonate 102.3
    cyrene 105.49
    2-ethoxyethyl acetate 67.62
    2-ethylhexyl acetate 41.41
    1,2,4-trichlorobenzene 99.03
    4-methylpyridine 124.29
    dibutyl ether 24.46
    2,6-dimethyl-4-heptanol 19.7
    DEF 83.0
    dimethyl isosorbide 116.95
    tetrachloroethylene 101.23
    eugenol 74.39
    triacetin 69.17
    span 80 67.8
    1,4-butanediol 38.34
    1,1-dichloroethane 73.34
    2-methyl-1-pentanol 29.5
    methyl formate 100.84
    2-methyl-1-butanol 29.5
    n-decane 3.98
    butyronitrile 48.54
    3,7-dimethyl-1-octanol 34.84
    1-chlorooctane 21.32
    1-chlorotetradecane 10.14
    n-nonane 3.11
    undecane 3.36
    tert-butylcyclohexane 2.82
    cyclooctane 1.89
    cyclopentanol 72.75
    tetrahydropyran 86.32
    tert-amyl methyl ether 20.15
    2,5,8-trioxanonane 110.47
    1-hexene 5.16
    2-isopropoxyethanol 54.07
    2,2,2-trifluoroethanol 44.42
    methyl butyrate 49.88

    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