2-butyryl furan
 
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IUPAC name :1-furan-2-ylbutan-1-one
InChI :InChI=1/C8H10O2/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3
InChIKey :GONWJZJNVDRECJ-UHFFFAOYAA
SMILES :CCCC(=O)C1=CC=CO1
cas number :4208-57-5
fema number :4083
jecfa number :1507
fl. number :13.105
molar refractivity :37.84 ± 0.3 cm3
parachor :326.0 ± 4.0 cm3
index of refraction :1.465 ± 0.02
surface tension :32.2 ± 3.0 dyne/cm
density :1.010 ± 0.06 g/cm3
polarizability :15.00 ± 0.5 10-24cm3
xlogp : 1.40
molecular weight : 138.1638000
formula :C8 H10 O2
BioActivity Analysis :83937
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :balsamic
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
balsamic
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05000 - 1.05600 @ 25.00 °C.
pounds per gallon - calc. : 8.737 to 8.787
refractive index :1.48900 - 1.49500 @ 20.00 °C.
boiling point : 195.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :not determined
  
recommendation for 2-butyryl furan usage levels up to :
  0.6000 % in the fragrance concentrate.
  
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 : 22.
4083 average usual ppmaverage maximum ppm
baked goods : 5.0000025.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : 2.0000010.00000
cheese : 3.0000015.00000
chewing gum : --
condiments / relishes : 2.0000010.00000
confectionery froastings : 4.0000020.00000
egg products : --
fats / oils : 2.0000010.00000
fish products : 1.000005.00000
frozen dairy : 3.0000015.00000
fruit ices : 3.0000015.00000
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : 1.000005.00000
milk products : 3.0000015.00000
nut products : --
other grains : 2.0000010.00000
poultry : 1.000005.00000
processed fruits : 2.0000010.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 2.0000010.00000
snack foods : 5.0000025.00000
soft candy : --
soups : 2.0000010.00000
sugar substitutes : --
sweet sauces : --
safety links : 
chemidplus :4208-57-5
epa-srs :4208-57-5
dtp/nci :21612
  
other : 
 
references : 
pubchem :83937
  
synonyms :
2-butyryl furan
1-(2-furanyl)-1-butanone
 furyl N-propyl ketone
2-furyl propyl ketone
1-(2-furyl)-1-butanone
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
not found in nature



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Html Last modified 06/12/2008