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
jecfa number :1759
fl. number :15.010
molar refractivity :34.56 ± 0.5 cm3
parachor :260.0± 8.0 cm3
index of refraction :1.609 ± 0.05
surface tension :46.1 ± 7.0 dyne/cm
density :1.29 ± 0.1 g/cm3
polarizability :13.70 ± 0.5 10-24cm3
XlogP : 0.20
XlogP3-AA : 0.20
molecular weight : 129.1801800 (IUPAC)
formula :C5 H7 N O S
NMR Predictor :Predict
 
 
export tariff code :2934.10.0000
fda reg :unspecified

Suppliers :
Fontarome :2-ACETYL 2 THIAZOLINE
Odor:  Herbal, grassy
Nanjing :2-Acetyl-2-thiazoline
Penta :2-acetyl-2-thiazoline
Sigma-Aldrich-SAFC :2-Acetyl-2-thiazoline
≥96%
Odor:  corn chip taco potato chip toasted bread nutty
Symrise :Acetyl thiazoline-2

organoleptics :
odor type :corn chip
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :¹
at 0.10 % in propylene glycol.  
corn chip taco potato chip toasted bread nutty
odor sample from :Sigma-Aldrich Inc.

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 - calc. : 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 point : 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 :
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 usage levels up to :
 not for fragrance use.
recommendation for 2-acetyl-2-thiazoline 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 (EFFA, 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 (EFFA, 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
fl. number :15.010
jecfa number :1759
NIST Chemistry WebBook :8222021
pubchem :746634

other :
reference : Luebke, William tgsc, (1993)¹
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

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetophenone
2-acetyl furan
2-acetyl pyrazine
2-acetyl-3-methyl pyrazine
(E)-aconitic acid
 allyl amyl glycolate
 ambroxan
isoamyl phenyl acetate
 amyris wood oil
 benzoin resinoid
 benzyl methyl sulfide
 benzyl salicylate
 caramel furanone
 cassia bark oil
 coconut naphthalenone
 coffee difuran
 currant bud absolute black
gamma-decalactone
2,5-diethyl-3-methyl pyrazine
2,5-dihydroxy-1,4-dithiane
6,8-dimethyl-2-nonanol
 ethyl vanillin
 fish thiol
 guaiacyl phenyl acetate
 heliotropin
 heliotropyl acetone
3,4-hexane dione
 immortelle absolute
 labdanum resinoid
 maltol
 meaty dithiane
 methyl cyclopentenolone
4-methyl nonanoic acid
2-methyl piperidine
2-methyl quinoxaline
5-methyl quinoxaline
2-methyl undecanal
2-methyl-3-tetrahydrofuran thiol
 nonanol
2,4-octadien-1-ol
 popcorn pyrimidine
 powdery ketone
isopropyl mercaptan
 santall
 tobacco dodecane
 tonka bean absolute
 vanilla absolute
 verymoss
 whiskey lactone

(odor and/or flavor) used in :
 acorn
 barley
 bread
 bread baked bread
 bread crisp bread
 bread crust
 bread rye bread
 bread wheat bread
 bread white bread
 cake
 chocolate cocoa
 coffee
 corn
 corn chip
 corn sweet corn
 gingerbread
 graham cracker
 meat
 nut
 nut almond
 nut cashew
 nut filbert
 nut hazelnut
 nut peanut
 nut pecan
 nut pistachio
 nut roasted
 nut sesame
 pizza
 popcorn
 seafood
 taco
 toasted
 tobacco tabac tabaco
 wheat

natural occurrence in :
beef
chicken
corn sweet corn



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