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

Overview IFRA Request a quote

  • Identifiers

    CAS number
    164524-93-0

    Molecular formula
    C6H9NOS

    SMILES
    CC(=O)C1=CSCCN1

  • Odor profile

    Fragrance
    Nutty 79.79%
    Roasted 77.37%
    Popcorn 68.71%
    Meaty 51.88%
    Cooked 40.75%
    Caramellic 31.71%
    Hazelnut 31.05%
    Potato 30.29%
    Burnt 29.54%
    Beefy 27.08%

     

    Flavor
    Nutty 69.56%
    Roasted 65.31%
    Roast 51.98%
    Cooked 47.37%
    Popcorn 42.52%
    Corn 39.45%
    Chip 38.84%
    Meaty 35.29%
    Toasted 32.31%
    Potato 30.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    5.36 (weak acid)

    Molecular weight
    143.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 171 - 172 °C

    Boiling point

    • 259.00 to 319.00 °C. @ 760.00 mm Hg

    Flash point

    • 117.69 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in methylene chloride
    • Slightly soluble (in ethanol)

  • Synonyms

    • 1-(3,4-dihydro-2H-1,4-thiazin-5-yl)ethanone
    • 164524-93-0
    • 5-acetyl-2,3-dihydro-1,4-thiazine
    • 1-(3,4-dihydro-2H-1,4-thiazin-5-yl)ethan-1-one
    • FEMA No. 4296
    • 36K5FIS2LA
    • Ethanone, 1-(3,4-dihydro-2H-1,4-thiazin-5-yl)-
    • 5-Acetyl-2,3-dihydro-1,4-thiazine [FIFH]
    • 5-acetyl-3,4-dihydro-2H-1,4-thiazine
    • Ethanone, 1-(3,4-dihydro-2H-1,4-thiazin-5-yl)- (9CI)
    • 5-ACETYL-2,3-DIHYDRO-1,4-THIAZINE [FHFI]
    • 5-Acetyl-2,3-dihydro-1,4-thiazine (FIFH)
    • UNII-36K5FIS2LA
    • SCHEMBL1402999
    • DTXSID40936955
    • CHEBI:184735
    • YJSKAAVPUSXIPL-UHFFFAOYSA-N
    • BCP30747
    • MFCD18829394
    • 5-Acetyl-2,3-dihydro-1,4-thiazin
    • AKOS005145907
    • TS-01870
    • DB-276014
    • CS-0357698
    • NS00120859
    • Q27256575
    • 1-(3,4-Dihydro-2H-1,4-thiazin-5-yl)ethanone, 9CI
    • 5-Acetyl-2,3-dihydro-1,4-thiazine;Ethanone, 1-(3,4-dihydro-2H-1,4-thiazin-5-yl)- (9CI) ethanone,1-(3,4-dihydro-2H-1,4-thiazin-5-yl)- 1-(3,4-Dihydro-2H-1,4

  • Applications

    5-Acetyl-2,3-dihydro-1,4-thiazine (CAS 164524-93-0) is typically used as an intermediate in organic synthesis, providing a heterocyclic scaffold for building more complex compounds. In pharmaceutical research, it may serve as a starting material to access drug-like molecules or as a scaffold for medicinal chemistry derivatives. In agrochemical development, it may be evaluated as a precursor for active ingredients, subject to synthetic feasibility and regulatory constraints. Additionally, it can be considered for fragrance applications as a potential fragrance intermediate in the fragrance industry, and may be explored as a building block for materials and coatings technologies, including polymers and adhesives. Actual use depends on regulatory requirements and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 162.07
    methanol 329.22
    isopropanol 86.12
    water 41.68
    ethyl acetate 78.02
    n-propanol 103.21
    acetone 193.53
    n-butanol 73.27
    acetonitrile 133.12
    DMF 511.56
    toluene 47.32
    isobutanol 67.68
    1,4-dioxane 211.72
    methyl acetate 85.66
    THF 205.75
    2-butanone 110.58
    n-pentanol 65.2
    sec-butanol 62.65
    n-hexane 2.31
    ethylene glycol 168.27
    NMP 422.51
    cyclohexane 3.49
    DMSO 659.35
    n-butyl acetate 50.52
    n-octanol 43.03
    chloroform 253.31
    n-propyl acetate 48.58
    acetic acid 231.68
    dichloromethane 229.36
    cyclohexanone 195.49
    propylene glycol 107.48
    isopropyl acetate 47.13
    DMAc 339.74
    2-ethoxyethanol 172.69
    isopentanol 56.87
    n-heptane 3.86
    ethyl formate 90.82
    1,2-dichloroethane 130.22
    n-hexanol 63.89
    2-methoxyethanol 286.13
    isobutyl acetate 36.63
    tetrachloromethane 37.42
    n-pentyl acetate 50.36
    transcutol 365.42
    n-heptanol 44.54
    ethylbenzene 21.25
    MIBK 60.17
    2-propoxyethanol 168.37
    tert-butanol 81.7
    MTBE 38.98
    2-butoxyethanol 110.63
    propionic acid 125.99
    o-xylene 40.56
    formic acid 249.75
    diethyl ether 41.67
    m-xylene 44.39
    p-xylene 28.82
    chlorobenzene 94.0
    dimethyl carbonate 48.23
    n-octane 2.61
    formamide 227.52
    cyclopentanone 266.28
    2-pentanone 87.92
    anisole 68.59
    cyclopentyl methyl ether 84.8
    gamma-butyrolactone 276.58
    1-methoxy-2-propanol 181.11
    pyridine 179.18
    3-pentanone 68.83
    furfural 339.8
    n-dodecane 3.19
    diethylene glycol 219.18
    diisopropyl ether 15.13
    tert-amyl alcohol 60.11
    acetylacetone 131.85
    n-hexadecane 3.61
    acetophenone 89.64
    methyl propionate 76.48
    isopentyl acetate 46.66
    trichloroethylene 292.64
    n-nonanol 36.82
    cyclohexanol 64.59
    benzyl alcohol 88.35
    2-ethylhexanol 36.38
    isooctanol 36.8
    dipropyl ether 29.73
    1,2-dichlorobenzene 94.45
    ethyl lactate 56.04
    propylene carbonate 124.05
    n-methylformamide 253.73
    2-pentanol 40.93
    n-pentane 2.71
    1-propoxy-2-propanol 98.27
    1-methoxy-2-propyl acetate 80.24
    2-(2-methoxypropoxy) propanol 92.89
    mesitylene 29.17
    ε-caprolactone 142.29
    p-cymene 23.73
    epichlorohydrin 221.43
    1,1,1-trichloroethane 100.73
    2-aminoethanol 175.83
    morpholine-4-carbaldehyde 355.08
    sulfolane 389.29
    2,2,4-trimethylpentane 3.45
    2-methyltetrahydrofuran 116.86
    n-hexyl acetate 64.24
    isooctane 3.14
    2-(2-butoxyethoxy)ethanol 126.34
    sec-butyl acetate 32.88
    tert-butyl acetate 53.79
    decalin 4.6
    glycerin 223.27
    diglyme 222.15
    acrylic acid 155.13
    isopropyl myristate 27.23
    n-butyric acid 111.48
    acetyl acetate 63.16
    di(2-ethylhexyl) phthalate 42.2
    ethyl propionate 43.39
    nitromethane 360.22
    1,2-diethoxyethane 72.57
    benzonitrile 122.69
    trioctyl phosphate 30.83
    1-bromopropane 46.62
    gamma-valerolactone 339.62
    n-decanol 28.3
    triethyl phosphate 33.21
    4-methyl-2-pentanol 30.71
    propionitrile 87.95
    vinylene carbonate 143.5
    1,1,2-trichlorotrifluoroethane 241.12
    DMS 63.88
    cumene 20.78
    2-octanol 29.63
    2-hexanone 55.87
    octyl acetate 36.32
    limonene 29.6
    1,2-dimethoxyethane 181.63
    ethyl orthosilicate 31.09
    tributyl phosphate 33.66
    diacetone alcohol 95.75
    N,N-dimethylaniline 64.27
    acrylonitrile 151.67
    aniline 98.08
    1,3-propanediol 151.71
    bromobenzene 82.29
    dibromomethane 122.99
    1,1,2,2-tetrachloroethane 205.34
    2-methyl-cyclohexyl acetate 45.08
    tetrabutyl urea 50.15
    diisobutyl methanol 25.47
    2-phenylethanol 75.35
    styrene 28.62
    dioctyl adipate 45.0
    dimethyl sulfate 124.72
    ethyl butyrate 43.06
    methyl lactate 91.22
    butyl lactate 59.21
    diethyl carbonate 32.09
    propanediol butyl ether 116.02
    triethyl orthoformate 36.51
    p-tert-butyltoluene 22.75
    methyl 4-tert-butylbenzoate 85.34
    morpholine 189.15
    tert-butylamine 41.77
    n-dodecanol 22.49
    dimethoxymethane 164.84
    ethylene carbonate 105.05
    cyrene 121.6
    2-ethoxyethyl acetate 79.46
    2-ethylhexyl acetate 37.85
    1,2,4-trichlorobenzene 114.09
    4-methylpyridine 161.86
    dibutyl ether 28.93
    2,6-dimethyl-4-heptanol 25.47
    DEF 133.24
    dimethyl isosorbide 139.62
    tetrachloroethylene 155.04
    eugenol 97.84
    triacetin 82.16
    span 80 81.74
    1,4-butanediol 94.75
    1,1-dichloroethane 109.25
    2-methyl-1-pentanol 52.3
    methyl formate 183.66
    2-methyl-1-butanol 54.96
    n-decane 4.75
    butyronitrile 83.34
    3,7-dimethyl-1-octanol 37.37
    1-chlorooctane 23.13
    1-chlorotetradecane 10.67
    n-nonane 4.22
    undecane 3.8
    tert-butylcyclohexane 5.26
    cyclooctane 2.17
    cyclopentanol 92.39
    tetrahydropyran 90.44
    tert-amyl methyl ether 35.43
    2,5,8-trioxanonane 159.89
    1-hexene 11.12
    2-isopropoxyethanol 108.04
    2,2,2-trifluoroethanol 124.86
    methyl butyrate 61.67

    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