2,4-dimethyl thiazole
 
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IUPAC name :2,4-dimethyl-1,3-thiazole
InChI :InChI=1/C5H7NS/c1-4-3-7-5(2)6-4/h3H,1-2H3
InChIKey :OBSLLHNATPQFMJ-UHFFFAOYAK
SMILES :CC1=CSC(=N1)C
(EINECS) number :208-786-9
cas number :541-58-2
beilstein number :0106414
coe number :11605
fl. number :15.062
molar refractivity :32.37 ± 0.3 cm3
parachor :259.8 ± 4.0 cm3
index of refraction :1.530 ± 0.02
surface tension :37.9 ± 3.0 dyne/cm
density :1.081 ± 0.06 g/cm3
polarizability :12.83 ± 0.5 10-24cm3
xlogp : 1.00
molecular weight : 113.1807800
formula :C5 H7 N S
BioActivity Analysis :73357
 
 
fda reg :unspecified h. number :2934.10.0000
organoleptics : 
odor type :meaty
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
coffee tea beefy roasted barley
properties : 
appearence :colorless to pale yellow clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05406 - 1.06500 @ 20.00 °C.
pounds per gallon - calc. : 8.781 to 8.872
refractive index :1.50200 - 1.51400 @ 20.00 °C.
boiling point : 144.00 - 146.00 °C. @ 760.00 mm Hg
logp : 1.56
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 121.00  °F.  TCC  ( 49.44 °C. )
  
recommendation for 2,4-dimethyl thiazole usage levels up to :
  0.0500 % in the fragrance concentrate.
  
recommendation for 2,4-dimethyl thiazole usage levels up to :
  10.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :208-786-9
rtecs :XJ4375000 for 541-58-2
chemidplus :000541582
epa-srs :541-58-2
dtp/nci :7510
  
other : 
 
references : 
pubchem :154235
NIST Chemistry WebBook :3094675055
  
synonyms :
2,4-dimethyl thiazole
2,4-methyl thiazole
soluble in :
 alcohol
 water, 1750 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) used in :
 barley
 chocolate cocoa
 coffee
 nut
 tea
natural occurrence in :
barley roasted barley
beef cooked beef
bonito
coffee
passion fruit juice
pea southern pea
tea black tea



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