2-acetyl-3,5-dimethyl furan
 
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IUPAC name :1-(3,5-dimethylfuran-2-yl)ethanone
InChI :InChI=1/C8H10O2/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3
InChIKey :SQWQZVDNBPEROH-UHFFFAOYAN
SMILES :CC1=CC(=C(O1)C(=O)C)C
cas number :22940-86-9
fema number :4071
jecfa number :1505
fl. number :13.101
molar refractivity :38.23 ± 0.3 cm3
parachor :321.7 ± 4.0 cm3
index of refraction :1.472 ± 0.02
surface tension :31.0 ± 3.0 dyne/cm
density :1.013 ± 0.06 g/cm3
polarizability :15.15 ± 0.5 10-24cm3
xlogp : 0.90
molecular weight : 138.1638000
formula :C8 H10 O2
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :balsamic
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
sweet balsam
properties : 
appearence :colorless clear liquid to solid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.04100 - 1.04700 @ 25.00 °C.
pounds per gallon - calc. : 8.662 to 8.712
refractive index :1.49400 - 1.50000 @ 20.00 °C.
melting point : 17.00 - 18.00 °C. @ 760.00 mm Hg
boiling point : 195.00 - 198.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 1.44
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 193.00  °F.  TCC  ( 89.44 °C. )
  
recommendation for 2-acetyl-3,5-dimethyl furan usage levels up to :
  0.8000 % 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.
4071 average usual ppmaverage maximum ppm
baked goods : 10.0000050.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : 5.0000025.00000
cheese : 7.0000035.00000
chewing gum : --
condiments / relishes : 5.0000025.00000
confectionery froastings : 10.0000050.00000
egg products : --
fats / oils : 5.0000025.00000
fish products : 2.0000010.00000
frozen dairy : 7.0000035.00000
fruit ices : 10.0000050.00000
gelatins / puddings : --
granulated sugar : --
gravies : 5.0000025.00000
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : 7.0000035.00000
meat products : 20.00000100.00000
milk products : 7.0000035.00000
nut products : --
other grains : 5.0000025.00000
poultry : 3.00000-
processed fruits : 7.0000035.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 5.0000025.00000
snack foods : 10.0000050.00000
soft candy : --
soups : 5.0000025.00000
sugar substitutes : --
sweet sauces : --
safety links : 
toxnet :22940-86-9
epa-srs :22940-86-9
pubchem :22940-86-9
  
other : 
 
references : 
synonyms :
2-acetyl-3,5-dimethyl furan
1-(3,5-dimethyl-2-furanyl) ethanone
3,5-dimethyl-2-furyl methyl ketone
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 balsam
natural occurrence in :
 not found in nature



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