5-acetyl-2,3-dihydro-1,4-thiazine
1-(5,6-dihydro-4H-1,4-thiazin-3-yl)ethanone
 
Notes:
Formed by thermal treatment of cysteine and ribose mixtures.
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      Product(s):
      164524-93-0 1-(3,4-Dihydro-2H-1,4-thiazin-5-yl)ethanone
       
  • CSA
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CAS Number: 164524-93-0Picture of molecule3D/inchi
FDA UNII: 36K5FIS2LA
Nikkaji Web: J668.742C
XlogP3-AA: 0.70 (est)
Molecular Weight: 143.20893000
Formula: C6 H9 N O S
NMR Predictor: Predict (works with chrome or firefox)
CAS Number: 101417-25-8Picture of molecule3D/inchi
Molecular Weight: 143.20893000
Formula: C6 H9 N O S
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Substance not supported by Industry (EFFA, 2009c). No longer supported by Industry (EFSA, 2011).
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
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Google Scholar: with word "flavor"Search
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Perfumer and Flavorist: Search
Google Patents: Search
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Pubchem Patents: Search
PubMed: Search
NCBI: Search
FDA Mainterm (SATF):164524-93-0 ; 5-ACETYL-2,3-DIHYDRO-1,4-THIAZINE
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Physical Properties:
Appearance: brown crystalline (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 67.00 to  69.00 °C. @ 760.00 mm Hg
Boiling Point: 259.00 to  319.00 °C. @ 760.00 mm Hg
Boiling Point: 242.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est)
Flash Point: 264.00 °F. TCC ( 128.80 °C. ) (est)
logP (o/w): -0.077 (est)
Soluble in:
 methylene chloride
 alcohol
 water, 3.612e+005 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: nutty
 
Odor Strength: high ,
recommend smelling in a 0.01 % solution or less
 
 nutty  cooked  roasted  popcorn  
Odor Description:
at 0.01 % in propylene glycol. 
nutty cooked roasted popcorn
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
Ethanone,1-(3,4-dihydro-2H-1,4-thiazin-5-yl)-
BOC Sciences
For experimental / research use only.
1-(3,4-Dihydro-2H-1,4-thiazin-5-yl)ethanone
Parchem
5-acetyl-2,3-dihydro-1,4-thiazine
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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Safety Information:
 
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
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Safety in Use Information:
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 ppmaverage maximum ppm
baked goods: 5.0000020.00000
beverages(nonalcoholic): 1.0000010.00000
beverages(alcoholic): 2.0000010.00000
breakfast cereal: 5.0000020.00000
cheese: 1.000005.00000
chewing gum: --
condiments / relishes: 5.0000025.00000
confectionery froastings: 2.0000010.00000
egg products: 1.000005.00000
fats / oils: --
fish products: --
frozen dairy: 1.000005.00000
fruit ices: --
gelatins / puddings: 2.0000010.00000
granulated sugar: 2.0000010.00000
gravies: --
hard candy: 2.0000010.00000
imitation dairy: 2.0000010.00000
instant coffee / tea: 2.0000010.00000
jams / jellies: --
meat products: 1.000005.00000
milk products: 2.000005.00000
nut products: --
other grains: 2.000005.00000
poultry: --
processed fruits: --
processed vegetables: 1.000005.00000
reconstituted vegetables: --
seasonings / flavors: 50.000001000.00000
snack foods: 2.0000010.00000
soft candy: 2.0000010.00000
soups: --
sugar substitutes: 10.0000025.00000
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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.400002.00000
Processed fruit (04.1): 0.300001.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.400002.00000
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 0.400002.00000
Meat and meat products, including poultry and game (08.0): 0.100000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.40000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.200001.00000
Foodstuffs intended for particular nutritional uses (13.0): 0.400002.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.400002.00000
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200001.00000
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Safety References:
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
EPI System: View
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
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References:
 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
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Other Information:
(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
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 sulfuryl octanoateFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl propionateFL/FR
caramellic
isopropenyl pyrazineFL/FR
chocolate
2,5-dimethyl pyrazineFL/FR
coffee
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
green
2-heptyl furanFL/FR
nutty
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
3,6-cocoa pyrazineFL/FR
 filbert heptenoneFL/FR
 filbert heptenone BFL/FR
 methoxymethyl pyrazineFL/FR
 nutty quinoxalineFL/FR
 sesame absoluteFL/FR
roasted
2-acetyl-2-pyrroline 
sulfurous
 furfuryl thioacetateFL/FR
 
For Flavor
 
No flavor group found for these
2-acetyl-2-pyrroline 
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
6,7-dimethyl dihydrocyclopentapyrazineFL
 dimethyl dihydrocyclopentapyrazineFL
2,5-dimethyl pyrazine and 2,6-dimethyl pyrazine mixtureFL
2,5-dimethyl thiazoleFL
3-(ethyl thio) butanolFL
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
 methyl 2-(methyl thio) acetateFL
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
 pyrazines mixtureFL
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl formateFL
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
burnt
isopropenyl pyrazineFL/FR
fatty
2-heptyl furanFL/FR
fishy
4,5-dimethyl thiazoleFL
fruity
2-ethyl-2,5-dihydro-4-methyl thiazoleFL
musty
2,5-dimethyl pyrazineFL/FR
2-ethoxythiazoleFL
nutty
3-acetyl-2,5-dimethyl thiopheneFL
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
 arachis hypogaea fruit extractFL
2-butyl-2-butenalFL
3,6-cocoa pyrazineFL/FR
1-ethyl-2-acetyl pyrroleFL
 filbert heptenoneFL/FR
 filbert heptenone BFL/FR
 methoxymethyl pyrazineFL/FR
 nutty quinoxalineFL/FR
 sesame absoluteFL/FR
popcorn
2-propionyl-2-thiazolineFL
roasted
3,5-diisobutyl-1,2,4-trithiolaneFL
 furfuryl thioacetateFL/FR
 
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Potential Uses:
 almond toasted almondFL
 cashewFL
 chestnut blossomFR
 coconutFL
 coconut tropical coconutFR
 filbertFL
 hazelnutFL
 macadamiaFL
 maceFL
 nutFL
 nutFL
 nut roasted nutFL
 nutmegFR
 peanutFL
 peanut butterFL
 pecanFL
 pina coladaFL
 pistachioFL
 popcornFL
 pralineFL
 sesameFL
 walnutFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
5-acethyl-2,3-dihydro-1,4-thiazine
5-acetyl-3,4-dihydro-2H-1,4-thiazine
1-(3,4-dihydro-2H-1,4-thiazin-5-yl) ethanone
1-(3,4-dihydro-2H-1,4-thiazin-5-yl)ethanone
1-(5,6-dihydro-4H-1,4-thiazin-3-yl)ethanone
 ethanone, 1-(3,4-dihydro-2H-1,4-thiazin-5-yl)-
 ethanone,1-(3,4-dihydro-2H-1,4-thiazin-5-yl)-
2H-1,4-thiazine, 5-acetyl-3,4-dihydro-
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