4,5-dimethyl-2-propyl oxazole
 
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IUPAC name :4,5-dimethyl-2-propyl-1,3-oxazole
InChI :InChI=1/C8H13NO/c1-4-5-8-9-6(2)7(3)10-8/h4-5H2,1-3H3
InChIKey :SDRFPOFMNGISHT-UHFFFAOYAH
SMILES :CCCC1=NC(=C(O1)C)C
(EINECS) number :258-817-5
cas number :53833-32-2
fema number :4396
coe number :11379
jecfa number :1569
fl. number :13.112
molar refractivity :40.47 ± 0.3 cm3
parachor :347.0 ± 4.0 cm3
index of refraction :1.461 ± 0.02
surface tension :30.7 ± 3.0 dyne/cm
density :0.944 ± 0.06 g/cm3
polarizability :16.04 ± 0.5 10-24cm3
xlogp : 1.70
molecular weight : 139.1949200
formula :C8 H13 N O
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :burnt
odor description :
at 100.00 %.  
roasted burnt
properties : 
appearence :pale yellow solid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 59.00 °C. @ 760.00 mm Hg
boiling point : 188.00 - 189.00 °C. @ 760.00 mm Hg
logp : 2.15
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 154.00  °F.  TCC  ( 67.78 °C. )
  
recommendation for 4,5-dimethyl-2-propyl oxazole usage levels up to :
 not for fragrance use.
  
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).
publication number : 23.
4396 average usual ppmaverage maximum ppm
baked goods : 0.400002.00000
beverages(nonalcoholic) : 0.200001.00000
beverages(alcoholic) : --
breakfast cereal : 0.200001.00000
cheese : 0.400002.00000
chewing gum : --
condiments / relishes : 0.200001.00000
confectionery froastings : 0.400002.00000
egg products : --
fats / oils : 0.200001.00000
fish products : 0.100000.40000
frozen dairy : 0.400002.00000
fruit ices : 0.400002.00000
gelatins / puddings : 1.000005.00000
granulated sugar : --
gravies : 1.000005.00000
hard candy : --
imitation dairy : 0.400002.00000
instant coffee / tea : --
jams / jellies : 1.000005.00000
meat products : 0.100000.40000
milk products : 0.400002.00000
nut products : --
other grains : 0.200001.00000
poultry : 0.100000.40000
processed fruits : 0.300001.50000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 0.200001.00000
snack foods : 0.200001.00000
soft candy : --
soups : 0.200001.00000
sugar substitutes : --
sweet sauces : 0.200001.00000
safety links : 
(EINECS) number :258-817-5
chemidplus :053833322
epa-srs :53833-32-2
  
other : 
 
references : 
pubchem :682032
  
synonyms :
4,5-dimethyl-2-propyl oxazole
2-propyl-4,5-dimethyl oxazole
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
natural occurrence in :
not found in nature



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Html Last modified 06/12/2008