2-acetyl thiazole
 
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IUPAC name :1-(1,3-thiazol-2-yl)ethanone
InChI :InChI=1/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3
InChIKey :MOMFXATYAINJML-UHFFFAOYAH
SMILES :CC(=O)C1=NC=CS1
(EINECS) number :246-134-5
cas number :24295-03-2
fema number :3328
coe number :11726
jecfa number :1041
fl. number :15.020
molar refractivity :32.75 ± 0.3 cm3
parachor :269.7 ± 4.0 cm3
index of refraction :1.544 ± 0.02
surface tension :45.8 ± 3.0 dyne/cm
density :1.226 ± 0.06 g/cm3
polarizability :12.98 ± 0.5 10-24cm3
molecular weight : 127.1643000
formula :C5 H5 N O S
BioActivity Analysis :17389367
 
 
fda reg :unspecified h. number :2934.10.0000
organoleptics : 
odor type :popcorn
odor strength :very high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
nutty popcorn roasted peanuts hazelnut
taste description³ :at 30.00 ppm.  
Corn chip with a slight musty background
substantivity :16 hour(s) at 100.00 %
properties : 
appearence :colorless to yellow clear oily liquid
assay : 98.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.21900 - 1.22600 @ 25.00 °C.
pounds per gallon - calc. :10.143 to 10.202
refractive index :1.54200 - 1.55200 @ 20.00 °C.
boiling point : 89.00 - 91.00 °C. @ 12.00 mm Hg
boiling point : 212.00 - 215.00 °C. @ 760.00 mm Hg
logp : 0.37
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 173.00  °F.  TCC  ( 78.33 °C. )
  
recommendation for 2-acetyl thiazole usage levels up to :
  0.5000 % in the fragrance concentrate.
  
recommendation for 2-acetyl thiazole usage levels up to :
  30.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :246-134-5
chemidplus :24295-03-2
epa-srs :24295-03-2
  
other : 
 
references : 
pubchem :10515148
NIST Chemistry WebBook :4160370045
  
reference : Mosciano, Gerard P&F 14, No. 6, 47, (1989)³
synonyms :
2-acetyl thiazole
5-acetyl thiazole
 methyl 2-thiazolyl ketone
 methyl 5-thiazolyl ketone
 methyl thiazolyl ketone
 popcorn thiazole
1-(thiazol-2-yl) ethan-1-one
2-thiazolyl methyl ketone
1-(2-thiazolyl) ethanone
soluble in :
 alcohol
 propylene glycol
 triacetin
insoluble in :
 water
stability :
 stable in most media
(odor and/or flavor) used in :
 bread white bread
 butter
 caramel
 cheese
 corn chip
 meat
 nut
 nut hazelnut
 nut peanut
 nut roasted
 popcorn
natural occurrence in :
asparagus
beans
beef broth
brazil nut
bread white bread
pork
potato



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