2-acetyl-2-thiazoline
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IUPAC Name - 1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
InChI - InChI=1/C5H7NOS/c1-4(7)5-6-2-3-8-5/h2-3H2,1H3
InChIKey - FZOZFDAMVVEZSJ-UHFFFAOYAO
SMILES - CC(=O)C1=NCCS1
CAS Number : 29926-41-8
FEMA Number :3817
COE Number :2335
Molar Refractivity :34.56 ± 0.5 cm3 (est)
Parachor :260.0± 8.0 cm3 (est)
Index of Refraction :1.609 ± 0.05 (est)
Surface Tension :46.1 ± 7.0 dyne/cm (est)
Density :1.29 ± 0.1 g/cm3 (est)
Polarizability :13.70 ± 0.5 10-24cm3 (est)
XlogP : 0.20 (est)
XlogP3-AA : 0.20 (est)
Molecular Weight : 129.1801800 (IUPAC) (PT) (112)
Formula :C5 H7 N O S
NMR Predictor :Predict
 
 
Category :flavoring agents
EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring :2-Acetyl-2-thiazoline.
Fl@vouring Number : 15.010
FDA Mainterm : 2-ACETYL-2-THIAZOLINE.
Suppliers :
Fontarome :2-ACETYL 2 THIAZOLINE
Odor:  corn chip taco potato chip toasted bread nutty
Nanjing :2-Acetyl-2-thiazoline
orders in chinese.
Penta :2-acetyl-2-thiazoline
SAFC Global® :2-Acetyl-2-thiazoline
≥96%
Odor:  corn chip taco potato chip toasted bread nutty
SAFC Global® :2-Acetyl-2-thiazoline
≥96%
Symrise :Acetyl thiazoline-2
Organoleptics :
Odor Type :corn chip
Odor Strength :high ,
recommend smelling in a 0.10 % solution or less
Odor Description:
at 0.10 % in propylene glycol.  		corn chip taco potato chip toasted bread nutty
Luebke, William tgsc, (1993)
Odor sample from :Sigma-Aldrich Inc.
Odor Description:
at 1.00 % in ethyl alcohol.  		Corn chips, green onion, crispy chicken skin, toasted grain with a nutty background, roasted nutty dry out, herbal and grassy
Mosciano, Gerard P&F 24, No. 6, 10, (1999)
Taste Description:
at 1.00 - 5.00 ppm.  		Taco chips, slightly popcorn, toasted and roasted grain, salty impression
Mosciano, Gerard P&F 24, No. 6, 10, (1999)
Properties :
Appearence :dark yellow orange brown liquid to solid
Assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
Specific Gravity :1.16000 to 1.17000 @ 25.00 °C.
Pounds per Gallon - est. : 9.652 to 9.736
Refractive Index :1.52740 to 1.52840 @ 20.00 °C.
Melting Point : 26.00 to 30.00 °C. @ 760.00 mm Hg
Boiling Point : 222.00 to 223.00 °C. @ 760.00 mm Hg
Flash Ppoint : 198.00  °F.  TCC  ( 92.22 °C. )
logP (o/w) : -0.89
Shelf Life : 24.00 month(s) or longer if stored properly.
Storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
Safety :
Most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 25 - Avoid contact with eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
Safety in Use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :9.30 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :ND (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI) :810 (μg/person/day)
Threshold of Concern :540 (μg/person/day)
Structure Class :II
 
Recommendation for 2-acetyl-2-thiazoline fragrance usage levels up to :
 not for fragrance use.
Recommendation for 2-acetyl-2-thiazoline flavor usage levels up to :
  5.0000 ppm in the flavor.
 
 
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...
msds :msds
EPI System :view
Canada Domestic Sub. List :Yes
WISER :UN 2811
 
WGK Germany :3
 
 
 
 
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
Chemidplus :029926418
EPA Substance Registry Services :29926-41-8
References :
 
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
NIST Chemistry WebBook :8222021
Pubchem :746634
Flavornet :29926-41-8
Other :
Export Tariff Code :2934.10.0000
VCF-Online: VCF Volatile Compounds in Food
 C of A
FDA Everything Added to Food in the United States (EAFUS)View
Synonyms :
2-acetyl-4,5-dihydroxythiazole
 corn thiazoline
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
1-(4,5-dihydro-2-thiazolyl) ethanone
Similar Products:    note
1-(4,5-dihydro-2-thiazolyl)-1-propanone
Soluble in :
 alcohol
Insoluble in :
 water
Potential Blenders :    note
 acetophenoneFL/FR
2-acetyl furanFL/FR
2-acetyl pyrazineFL/FR
2-acetyl-3-methyl pyrazineFL/FR
(E)-aconitic acidFL
 allyl amyl glycolateFR
 ambroxanFL/FR
isoamyl phenyl acetateFL/FR
 amyris wood oilFL/FR
 benzoin resinoid siamFL/FR
 benzyl methyl sulfideFL
 benzyl salicylateFL/FR
 caramel furanoneFL
 cassia bark oil chinaFL/FR
 coconut naphthalenoneFL/FR
 coffee difuranFL
 currant bud absolute blackFL/FR
 cycloteneFL/FR
gamma-decalactoneFL/FR
2,5-diethyl-3-methyl pyrazineFL
2,5-dihydroxy-1,4-dithianeFL
6,8-dimethyl-2-nonanolFR
 ethyl vanillinFL/FR
 fish thiolFL
 guaiacyl phenyl acetateFL/FR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
3,4-hexane dioneFL/FR
 immortelle absoluteFL/FR
 labdanum resinoidFR
 maltolFL/FR
 meaty dithianeFL
4-methyl nonanoic acidFL
2-methyl piperidineFL
2-methyl quinoxalineFL
5-methyl quinoxalineFL/FR
2-methyl undecanal (aldehyde C-12 mna)FL/FR
2-methyl-3-tetrahydrofuran thiolFL
 nonanolFL/FR
2,4-octadien-1-olFL
 popcorn pyrimidineFL/FR
 powdery ketoneFL
isopropyl mercaptanFL
 santallFR
 tobacco dodecaneFR
 tonka bean absoluteFR
 vanilla absolute 100%FL/FR
 verymossFR
 whiskey lactoneFL/FR
Potential Uses :
 acorn 
 barleyFL
 breadFL
 bread baked bread 
 bread crisp bread 
 bread crust 
 bread rye bread 
 bread wheat bread 
 bread white bread 
 cakeFL
 chocolate cocoa 
 coffeeFL
 cornFL
 corn chipFL
 corn sweet corn 
 gingerbread 
 graham crackerFL
 meat 
 nutFL
 nut almond toastedFL
 nut cashewFL
 nut filbertFL
 nut hazelnutFL
 nut peanutFL
 nut pecanFL
 nut pistachioFL
 nut roasted 
 nut sesameFL
 pizzaFL
 popcornFL
 seafoodFL
 taco 
 toasted 
 tobacco tabac tabaco 
 wheat 
Natural Occurrence in :    note
 beef  
 chicken  
 coffee aroma  
 corn sweet corn  


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