6-Acetyl-2,3-dihydro-1,4-thiazine

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  • Identifiers

    CAS number
    101417-25-8

    Molecular formula
    C6H9NOS

    SMILES
    CC(=O)C1=CNCCS1

  • Odor profile

    Fragrance
    Nutty 78.6%
    Roasted 75.78%
    Popcorn 65.18%
    Meaty 56.94%
    Cooked 40.89%
    Potato 31.1%
    Hazelnut 29.9%
    Burnt 29.14%
    Caramellic 28.39%
    Savory 27.89%

     

    Flavor
    Nutty 67.99%
    Roasted 64.62%
    Roast 51.56%
    Cooked 46.95%
    Popcorn 40.43%
    Meaty 39.96%
    Corn 38.93%
    Chip 38.03%
    Potato 31.78%
    Toasted 31.53%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    5.67 (weak acid)

    Molecular weight
    143.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    350°C

    Flash point

    • 114.15 ˚C est.

  • Synonyms

    • 101417-25-8
    • 1-(3,4-Dihydro-2H-1,4-thiazin-6-yl)ethanone
    • Ethanone, 1-(3,4-dihydro-2H-1,4-thiazin-6-yl)- (9CI)
    • 6-Acetyl-2,3-dihydro-1,4-thiazine
    • DTXSID901019752
    • AKOS006359030
    • DB-276015
    • NS00120711
    • Ethanone, 1-(3,4-dihydro-2H-1,4-thiazin-6-yl)-

  • Applications

    6-Acetyl-2,3-dihydro-1,4-thiazine (CAS 101417-25-8) is primarily used as a chemical building block and intermediate in organic synthesis, with applications in pharmaceutical research for constructing heterocyclic thiazine-containing compounds; it is also evaluated as an intermediate for agrochemical candidates and for diversification libraries in medicinal chemistry; in industry, it can serve as a precursor or specialized intermediate for the synthesis of compounds used in coatings, inks, and polymer-related materials; in some cases, it is considered a starting material for specialized materials and complex molecular syntheses; applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 206.38
    methanol 396.72
    isopropanol 130.92
    water 34.78
    ethyl acetate 158.07
    n-propanol 144.8
    acetone 350.35
    n-butanol 97.77
    acetonitrile 247.05
    DMF 896.58
    toluene 90.93
    isobutanol 89.13
    1,4-dioxane 396.25
    methyl acetate 173.15
    THF 413.6
    2-butanone 194.23
    n-pentanol 67.39
    sec-butanol 85.38
    n-hexane 2.84
    ethylene glycol 235.34
    NMP 725.11
    cyclohexane 6.86
    DMSO 985.22
    n-butyl acetate 61.84
    n-octanol 51.89
    chloroform 395.19
    n-propyl acetate 69.08
    acetic acid 329.86
    dichloromethane 324.23
    cyclohexanone 320.38
    propylene glycol 165.19
    isopropyl acetate 82.42
    DMAc 487.91
    2-ethoxyethanol 186.52
    isopentanol 63.39
    n-heptane 5.12
    ethyl formate 127.75
    1,2-dichloroethane 191.26
    n-hexanol 72.63
    2-methoxyethanol 392.87
    isobutyl acetate 46.64
    tetrachloromethane 64.9
    n-pentyl acetate 59.66
    transcutol 391.42
    n-heptanol 48.71
    ethylbenzene 27.52
    MIBK 83.31
    2-propoxyethanol 193.03
    tert-butanol 117.59
    MTBE 56.57
    2-butoxyethanol 116.03
    propionic acid 202.41
    o-xylene 60.26
    formic acid 292.52
    diethyl ether 78.91
    m-xylene 67.07
    p-xylene 37.23
    chlorobenzene 148.18
    dimethyl carbonate 100.68
    n-octane 2.99
    formamide 333.25
    cyclopentanone 466.8
    2-pentanone 146.01
    anisole 97.01
    cyclopentyl methyl ether 157.06
    gamma-butyrolactone 505.4
    1-methoxy-2-propanol 280.32
    pyridine 308.92
    3-pentanone 119.73
    furfural 476.44
    n-dodecane 3.76
    diethylene glycol 267.61
    diisopropyl ether 22.21
    tert-amyl alcohol 82.0
    acetylacetone 236.35
    n-hexadecane 4.31
    acetophenone 113.46
    methyl propionate 160.0
    isopentyl acetate 54.88
    trichloroethylene 409.48
    n-nonanol 44.71
    cyclohexanol 105.0
    benzyl alcohol 104.16
    2-ethylhexanol 41.69
    isooctanol 38.61
    dipropyl ether 40.98
    1,2-dichlorobenzene 128.3
    ethyl lactate 71.29
    propylene carbonate 189.66
    n-methylformamide 407.44
    2-pentanol 56.74
    n-pentane 4.15
    1-propoxy-2-propanol 117.24
    1-methoxy-2-propyl acetate 112.64
    2-(2-methoxypropoxy) propanol 107.89
    mesitylene 41.45
    ε-caprolactone 222.88
    p-cymene 28.25
    epichlorohydrin 331.78
    1,1,1-trichloroethane 187.42
    2-aminoethanol 227.97
    morpholine-4-carbaldehyde 552.09
    sulfolane 693.43
    2,2,4-trimethylpentane 4.27
    2-methyltetrahydrofuran 215.83
    n-hexyl acetate 85.34
    isooctane 3.77
    2-(2-butoxyethoxy)ethanol 146.74
    sec-butyl acetate 46.59
    tert-butyl acetate 86.71
    decalin 6.13
    glycerin 312.17
    diglyme 255.46
    acrylic acid 247.8
    isopropyl myristate 35.54
    n-butyric acid 163.47
    acetyl acetate 122.47
    di(2-ethylhexyl) phthalate 49.11
    ethyl propionate 71.49
    nitromethane 636.54
    1,2-diethoxyethane 84.0
    benzonitrile 148.72
    trioctyl phosphate 36.9
    1-bromopropane 71.29
    gamma-valerolactone 541.54
    n-decanol 33.88
    triethyl phosphate 42.06
    4-methyl-2-pentanol 35.05
    propionitrile 136.34
    vinylene carbonate 204.2
    1,1,2-trichlorotrifluoroethane 338.59
    DMS 95.53
    cumene 23.79
    2-octanol 33.41
    2-hexanone 74.94
    octyl acetate 48.42
    limonene 38.38
    1,2-dimethoxyethane 217.0
    ethyl orthosilicate 37.93
    tributyl phosphate 40.71
    diacetone alcohol 143.51
    N,N-dimethylaniline 79.02
    acrylonitrile 226.31
    aniline 161.47
    1,3-propanediol 199.31
    bromobenzene 129.04
    dibromomethane 178.15
    1,1,2,2-tetrachloroethane 300.87
    2-methyl-cyclohexyl acetate 55.02
    tetrabutyl urea 61.28
    diisobutyl methanol 28.73
    2-phenylethanol 90.27
    styrene 40.14
    dioctyl adipate 57.05
    dimethyl sulfate 225.4
    ethyl butyrate 54.2
    methyl lactate 152.79
    butyl lactate 67.02
    diethyl carbonate 40.97
    propanediol butyl ether 125.93
    triethyl orthoformate 44.28
    p-tert-butyltoluene 28.3
    methyl 4-tert-butylbenzoate 109.27
    morpholine 348.93
    tert-butylamine 55.56
    n-dodecanol 26.26
    dimethoxymethane 294.46
    ethylene carbonate 154.78
    cyrene 154.21
    2-ethoxyethyl acetate 98.03
    2-ethylhexyl acetate 44.66
    1,2,4-trichlorobenzene 162.98
    4-methylpyridine 260.72
    dibutyl ether 34.32
    2,6-dimethyl-4-heptanol 28.73
    DEF 208.18
    dimethyl isosorbide 176.05
    tetrachloroethylene 218.7
    eugenol 114.54
    triacetin 108.68
    span 80 102.92
    1,4-butanediol 99.74
    1,1-dichloroethane 185.56
    2-methyl-1-pentanol 50.24
    methyl formate 285.55
    2-methyl-1-butanol 66.43
    n-decane 5.57
    butyronitrile 115.77
    3,7-dimethyl-1-octanol 43.2
    1-chlorooctane 28.14
    1-chlorotetradecane 12.8
    n-nonane 4.87
    undecane 4.48
    tert-butylcyclohexane 6.35
    cyclooctane 3.36
    cyclopentanol 155.65
    tetrahydropyran 185.52
    tert-amyl methyl ether 51.28
    2,5,8-trioxanonane 191.33
    1-hexene 15.31
    2-isopropoxyethanol 113.33
    2,2,2-trifluoroethanol 180.92
    methyl butyrate 89.35

    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