epoxyoxophorone
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IUPAC name :1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2,5-dione
InChI :InChI=1/C9H12O3/c1-8(2)4-5(10)6-9(3,12-6)7(8)11/h6H,4H2,1-3H3
InChIKey :VOFRQXZPJRQJIW-UHFFFAOYAA
SMILES :CC1(CC(=O)C2C(C1=O)(O2)C)C
cas number :38284-11-6
fema number :4109
jecfa number :1573
fl. number :16.051
molar refractivity :41.51 ± 0.3 cm3
parachor :352.6 ± 6.0 cm3
index of refraction :1.494 ± 0.02
surface tension :37.5 ± 3.0 dyne/cm
density :1.180 ± 0.06 g/cm3
polarizability :16.45 ± 0.5 10-24cm3
XlogP : -0.60
molecular weight : 168.1897800
formula :C9 H12 O3
BioActivity Analysis :48414879
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :epoxyoxophorone

organoleptics :
odor type :camphoreous
odor strength :medium
odor description :
at 100.00 %.  
sweet camphor

properties :
appearence :colorless solid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 157.00 °C. @ 760.00 mm Hg
boiling point : 263.00 to 264.00 °C. @ 760.00 mm Hg
flash point : 237.00  °F.  TCC  ( 113.89 °C. )
logP (o/w) : 0.26

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.20 (μg/capita/day)
 
recommendation for epoxyoxophorone 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).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 22
 average usual ppmaverage maximum ppm
baked goods : 3.0000015.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : 2.0000010.00000
cheese : 2.0000010.00000
chewing gum : --
condiments / relishes : 5.0000025.00000
confectionery froastings : --
egg products : 2.0000010.00000
fats / oils : 2.0000010.00000
fish products : 3.0000015.00000
frozen dairy : 5.0000025.00000
fruit ices : 1.000005.00000
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : --
nut products : --
other grains : 3.0000015.00000
poultry : --
processed fruits : 1.000005.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 2.0000010.00000
soups : --
sugar substitutes : --
sweet sauces : --

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
 
 
 
 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2,5-dione
chemidplus :38284-11-6
EPA Substance Registry Services :38284-11-6

references :
 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2,5-dione
fl. number :16.051
jecfa number :1573
pubchem :48414879

other :
synonyms :
 epoxy oxophorone
3,5,5-trimethyl-2,3-epoxycyclohexane-1,4-dione
1,3,3-trimethyl-7-oxabicyclo(4.1.0)heptane-2,5-dione
1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2,5-dione

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 achillea tenuifolia lam. flower oil iran
3-benzylidene-2-butanone
 bornyl isobutyrate
 butyrophenone
 cajuput oil vietnam
 camphenilone
(±)-camphor
dextro-camphor
 camphor oil
beta-homocyclocitral
 fenchone
dextro-fenchone
laevo-fenchone
 fenchyl alcohol
 feverfew leaf oil belgium
 galangal root oil
 geranic oxide
 herbal ethanone
 hinoki leaf oil
6-hydroxydihydrotheaspirane (mixture of isomers)
 laurel bark oil
 laurel leaf absolute
 laurel leaf concrete
 laurel leaf oil
 laurel leaf oil turkey
 laurel stem oil
 lavender oil spike france
 lavender oil spike spain
 lavender spike absolute
3-methyl cyclohexanone
2-methyl-3-butanone
 niaouli oil
 patchouli indene
alpha-pinene
 rosemary absolute
 rosemary oil egypt
 sugandha kokila berry oil
 verbenone
 yarrow oil
 yarrow oil greece
 yarrow oil hungary

(odor and/or flavor) used in :
 balsam
 camphor
 herbal

natural occurrence in :
not found in nature



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