| Preferred name | 5-acetyl-2,3-dihydro-1,4-thiazine |
| Trivial Name | 1-(3,4-dihydro-4H-1,4-thiazin-5-yl)ethanone |
| Short Description | 1-(5,6-dihydro-4H-1,4-thiazin-3-yl)ethanone |
| Formula | C6 H9 N O S |
| CAS Number | 164524-93-0 |
| CAS Number | 101417-25-8 |
| FDA UNII | 36K5FIS2LA |
| Nikkaji Number | J668.742C |
| xLogP3-AA | 0.70 (est) |
| NMR Predictor | External link |
| FDA Mainterm | 164524-93-0 ; 5-ACETYL-2,3-DIHYDRO-1,4-THIAZINE |
| Synonyms |
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| 1-(3,4-dihydro-4H-1,4-thiazin-5-yl)ethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 526853 |
| Pubchem (sid): | 135324865 |
| 1-(3,4-dihydro-2H-1,4-thiazin-6-yl)ethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cas): | 101417-25-8 |
| Publications by PubMed | |
| Mechanistic Studies on the Formation of Thiazolidine and Structurally Related Thiazines in a Cysteamine/2,3-Butanedione Model System | |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB34882 |
| FooDB: | FDB013457 |
| ChemSpider: | View |
| Axsyn | BOC Sciences |
| Parchem |
| Material listed in food chemical codex | No |
| Molecular weight | 143.20892333984 |
| Melting Point | 67 to 69°C @ 760 mm Hg |
| Boiling Point | 259 to 319°C @ 760 mm Hg |
| Vapor Pressure | 0.002 mmHg @ 25 °C |
| Flash Point TCC Value | 128.8 °C TCC |
| logP (o/w) | -0.077 est |
| Solubility | |
| methylene chloride | Yes |
| alcohol | Yes |
| water, 3.612e+005 mg/L @ 25 °C (est) | Yes |
| Odor Type: Nutty | |
| nutty, cooked, roasted, popcorn | |
| General comment | At 0.01 % in propylene glycol. nutty cooked roasted popcorn |
| Applications | |
| Odor purposes | Chestnut blossom, Coconut tropical coconut, Nutmeg |
| Flavoring purposes | Almond toasted almond, Cashew, Coconut, Filbert, Hazelnut, Macadamia, Mace, Nut, Nut, Nut roasted nut, Peanut, Peanut butter, Pecan, Pina colada, Pistachio, Popcorn, Praline, Sesame, Walnut |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavoring agents | |||
| IFRA fragrance material specification: | |||
| Genotoxic alert | |||
| Recommendation for 5-acetyl-2,3-dihydro-1,4-thiazine usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 4000 (μg/person/day) | ||
| Threshold of Concern: | 90 (μg/person/day) | ||
| Structure Class: | III | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 23 | |||
| Click here to view publication 23 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 5.00000 | 20.00000 | |
| beverages(nonalcoholic): | 1.00000 | 10.00000 | |
| beverages(alcoholic): | 2.00000 | 10.00000 | |
| breakfast cereal: | 5.00000 | 20.00000 | |
| cheese: | 1.00000 | 5.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | 5.00000 | 25.00000 | |
| confectionery froastings: | 2.00000 | 10.00000 | |
| egg products: | 1.00000 | 5.00000 | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 1.00000 | 5.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 2.00000 | 10.00000 | |
| granulated sugar: | 2.00000 | 10.00000 | |
| gravies: | - | - | |
| hard candy: | 2.00000 | 10.00000 | |
| imitation dairy: | 2.00000 | 10.00000 | |
| instant coffee / tea: | 2.00000 | 10.00000 | |
| jams / jellies: | - | - | |
| meat products: | 1.00000 | 5.00000 | |
| milk products: | 2.00000 | 5.00000 | |
| nut products: | - | - | |
| other grains: | 2.00000 | 5.00000 | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | 1.00000 | 5.00000 | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 50.00000 | 1000.00000 | |
| snack foods: | 2.00000 | 10.00000 | |
| soft candy: | 2.00000 | 10.00000 | |
| soups: | - | - | |
| sugar substitutes: | 10.00000 | 25.00000 | |
| sweet sauces: | - | - | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 0.40000 | 2.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.20000 | 1.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.40000 | 2.00000 | |
| Processed fruit (04.1): | 0.30000 | 1.50000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 0.40000 | 2.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.20000 | 1.00000 | |
| Bakery wares (07.0): | 0.40000 | 2.00000 | |
| Meat and meat products, including poultry and game (08.0): | 0.10000 | 0.40000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.10000 | 0.40000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.20000 | 1.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.40000 | 2.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.20000 | 1.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.40000 | 2.00000 | |
| Ready-to-eat savouries (15.0): | 1.00000 | 5.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.20000 | 1.00000 | |
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 21: Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29. Miscellaneous substances from chemical group 30. (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 76, (FGE.76)[1] - Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29, miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 21, Revision 1 (FGE.21Rev1): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 Miscellaneous substances from chemical group 30 View page or View pdf |
| Flavouring Group Evaluation 93 (FGE.93): Consideration of sulphur heterocyclic evaluated by JECFA (68th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl evaluated by EFSA in FGE.21Rev1 (2009) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 21, Revision 2 (FGE.21Rev2): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29. Miscellaneous substances from chemical group 30. View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 21, Revision 3 (FGE.21Rev3): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 21, Revision 4 (FGE.21Rev4): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 21, Revision 4 (FGE.21Rev4): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 21, Revision 5 (FGE.21Rev5): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30 View page or View pdf |
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| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :526853 |
| National Institute of Allergy and Infectious Diseases:Data |
| 1-(3,4-dihydro-4H-1,4-thiazin-5-yl)ethanone |
| Chemidplus:0164524930 |
| 1-(3,4-dihydro-2H-1,4-thiazin-6-yl)ethanone |