2,3-octane dione
 
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IUPAC name :octane-2,3-dione
InChI :InChI=1/C8H14O2/c1-3-4-5-6-8(10)7(2)9/h3-6H2,1-2H3
InChIKey :XCBBNTFYSLADTO-UHFFFAOYAO
SMILES :CCCCCC(=O)C(=O)C
(EINECS) number :209-552-9
cas number :585-25-1
fema number :4060
fl. number :07.248
molar refractivity :39.17 ± 0.3 cm3
parachor :360.5 ± 4.0 cm3
index of refraction :1.419 ± 0.02
surface tension :29.4 ± 3.0 dyne/cm
density :0.918 ± 0.06 g/cm3
polarizability :15.52 ± 0.5 10-24cm3
xlogp : 1.70
molecular weight : 142.1955600
formula :C8 H14 O2
BioActivity Analysis :73474
 
 
export tariff code :unspecified
fda reg :unspecified
 
Suppliers :
Fontarome Chemical :2, 3-OCTANEDIONE
organoleptics :
properties :
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 169.00 to 170.00 °C. @ 760.00 mm Hg
logp : 0.79
safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 133.00  °F.  TCC  ( 56.11 °C. )
recommendation for 2,3-octane dione 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 : 21.
 average usual ppmaverage maximum ppm
baked goods : 20.0000020.00000
beverages(nonalcoholic) : 8.0000016.00000
beverages(alcoholic) : 8.0000016.00000
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 12.0000024.00000
fruit ices : --
gelatins / puddings : 12.0000024.00000
granulated sugar : --
gravies : 8.0000016.00000
hard candy : 16.0000032.00000
imitation dairy : 8.0000016.00000
instant coffee / tea : --
jams / jellies : --
meat products : 8.0000016.00000
milk products : 8.0000016.00000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 8.0000016.00000
snack foods : 8.0000016.00000
soft candy : 12.0000024.00000
soups : 8.0000016.00000
sugar substitutes : --
sweet sauces : --
safety references :
EPI System :view
 
 
 octane-2,3-dione
(EINECS) number :209-552-9
chemidplus :000585251
EPA Substance Registry Services :585-25-1
NLM Chemical Carcinogenesis Research Information System :585-25-1
NLM Developmental and Reproductive Toxicity :585-25-1
NLM Env. Mutagen Info. Center :585-25-1
NLM GENetic TOXicology :585-25-1
dtp/nci :7642
references :
 octane-2,3-dione
fl. number :07.248
pubchem :154753
NIST Chemistry WebBook :6408885
other :
synonyms :
2,3-octane dione
 octane-2,3-dione
2,3-octanedione
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
data pagemelissa oil slovak republic @ trace%



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Html Last modified 11/29/2008