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5-acetyl-2,3-dihydro-1,4-thiazine
1-(5,6-dihydro-4H-1,4-thiazin-3-yl)ethanone

Sponsors

Name:1-(3,4-dihydro-4H-1,4-thiazin-5-yl)ethanone
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)
Name:1-(3,4-dihydro-2H-1,4-thiazin-6-yl)ethanone
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
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FDA Mainterm: 5-ACETYL-2,3-DIHYDRO-1,4-THIAZINE
 
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 mm/Hg @ 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)
 
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).
 
Cosmetic Information:
None found
 
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 Chemical Sources Association
 
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
 
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
 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
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
 
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
 
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
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB34882
FooDB:FDB013457
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
sulfuryl octanoate
FL/FR
sulfuryl butyrate
FL/FR
sulfuryl decanoate
FL/FR
sulfuryl hexanoate
FL/FR
sulfuryl isobutyrate
FL/FR
sulfuryl propionate
FL/FR
caramellic
caramellic
iso
propenyl pyrazine
FL/FR
chocolate
2,5-
dimethyl pyrazine
FL/FR
coffee
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
green
2-
heptyl furan
FL/FR
nutty
2-
acetyl-3-methyl pyrazine
FL/FR
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
filbert heptenone
FL/FR
filbert heptenone B
FL/FR
methoxymethyl pyrazine
FL/FR
nutty quinoxaline
FL/FR
sesame absolute
FL/FR
sulfurous
furfuryl thioacetate
FL/FR
For Flavor
No flavor group found for these
2-
acetyl-2-pyrroline
FL
6,7-
dihydro-2,3-dimethyl-5H-cyclopentapyrazine
FL
6,7-
dimethyl dihydrocyclopentapyrazine
FL
dimethyl dihydrocyclopentapyrazine
FL
2,5-
dimethyl pyrazine and 2,6-dimethyl pyrazine mixture
FL
2,5-
dimethyl thiazole
FL
3-(
ethyl thio) butanol
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
methyl 2-(methyl thio) acetate
FL
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
pyrazines mixture
FL
sulfuryl butyrate
FL/FR
sulfuryl decanoate
FL/FR
sulfuryl hexanoate
FL/FR
sulfuryl isobutyrate
FL/FR
sulfuryl formate
FL
sulfuryl octanoate
FL/FR
sulfuryl propionate
FL/FR
burnt
burnt
iso
propenyl pyrazine
FL/FR
fatty
2-
heptyl furan
FL/FR
fishy
4,5-
dimethyl thiazole
FL
fruity
2-
ethyl-2,5-dihydro-4-methyl thiazole
FL
musty
2,5-
dimethyl pyrazine
FL/FR
2-
ethoxythiazole
FL
nutty
3-
acetyl-2,5-dimethyl thiophene
FL
2-
acetyl-3-methyl pyrazine
FL/FR
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
arachis hypogaea fruit extract
FL
2-
butyl-2-butenal
FL
3,6-
cocoa pyrazine
FL/FR
1-
ethyl-2-acetyl pyrrole
FL
filbert heptenone
FL/FR
filbert heptenone B
FL/FR
methoxymethyl pyrazine
FL/FR
nutty quinoxaline
FL/FR
sesame absolute
FL/FR
popcorn
2-
propionyl-2-thiazoline
FL
roasted
3,5-
diisobutyl-1,2,4-trithiolane
FL
furfuryl thioacetate
FL/FR
 
Potential Uses:
FLalmond toasted almond
FLcashew
 chestnut blossom
FLcoconut
 coconut tropical coconut
FLfilbert
FLhazelnut
FLmacadamia
FLmace
FLnut
FLnut
FLnut roasted nut
FRnutmeg
FLpeanut
FLpeanut butter
FLpecan
FLpina colada
FLpistachio
FLpopcorn
FLpraline
FLsesame
FLwalnut
 
Occurrence (nature, food, other):note
 not found in nature
 
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-
 
 
Notes:
Formed by thermal treatment of cysteine and ribose mixtures.
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