epoxyoxophorone
1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2,5-dione
 
Notes:
Used as a food additive [EAFUS]
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1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2,5-dione (Click)
CAS Number: 38284-11-6Picture of molecule
FDA UNII: JR8FH7QZ8I
Nikkaji Web: J2.707.744G
XlogP3-AA: 0.40 (est)
Molecular Weight: 168.19224000
Formula: C9 H12 O3
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: No longer supported by Industry, DG SANCO, 2012. Racemic mixture (Me up & epoxy down or Me down and epoxy up) configuration of epoxyde up or down i.e. racemate (EFFA, 2010a).
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Pubchem Patents: Search
JECFA Food Flavoring: 1573  epoxyoxophorone
FEMA Number: 4109  epoxyoxophorone
FDA Mainterm: EPOXYOXOPHORONE
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Physical Properties:
Appearance: colorless solid (est)
Assay: 95.00 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
Vapor Pressure: 0.009000 mm/Hg @ 25.00 °C. (est)
Flash Point: 237.00 °F. TCC ( 113.89 °C. )
logP (o/w): 0.262 (est)
Soluble in:
 alcohol
 water, 1.101e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: camphoreous
Odor Strength: medium
 sweet  camphoreous  
Odor Description:
at 100.00 %. 
sweet camphor
  
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Cosmetic Information:
None found
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Suppliers:
Parchem
epoxyoxophorone
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for epoxyoxophorone usage levels up to:
 not for fragrance 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)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1000 (μg/person/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
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 Flavor Ingredient Library
publication number: 22
Click here to view publication 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: --
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Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 31 (FGE.31) - One Epoxide from Chemical Group 32 [1] - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 82 (FGE.82)[1] - Consideration of Epoxides evaluated by JECFA (65th meeting) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 82, Revision 1 (FGE.82Rev1): Consideration of Epoxides evaluated by the JECFA (65th meeting)
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 3853254
National Institute of Allergy and Infectious Diseases: Data
 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2,5-dione
Chemidplus: 0038284116
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References:
 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2,5-dione
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 3853254
Pubchem (sid): 135274132
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB32252
FooDB: FDB009360
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 fenchoneFL/FR
 laurel leaf absoluteFL/FR
 laurel leaf concreteFR
 yarrow oil greeceFL/FR
 yarrow oil hungaryFL/FR
 achillea tenuifolia lam. flower oil iranFR
 camphenilone 
 feverfew leaf oil belgium 
2-methyl-3-butanoneFL/FR
 yarrow oilFL/FR
balsamic
dextro-fenchoneFL/FR
camphoreous
3-benzylidene-2-butanoneFL/FR
 bornyl isobutyrateFL/FR
 butyrophenoneFL/FR
(±)-camphorFL/FR
dextro-camphorFL/FR
 camphor tree bark oilFL/FR
beta-homocyclocitralFL/FR
 fencholFL/FR
laevo-fenchoneFL/FR
 herbal ethanoneFR
 hinoki leaf oilFR
 verbenoneFL/FR
herbal
 dimethyl cyclormol (IFF)FR
 geranic oxideFL/FR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 laurel bark oil 
 laurel stem oil 
spike lavender absoluteFL/FR
spike lavender oilFL/FR
spike lavender oil spainFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
 niaouli oilFR
alpha-pineneFL/FR
 rosemary absoluteFL/FR
 rosemary oil egyptFL/FR
spicy
 galangal root oilFL/FR
 laurus nobilis leaf oilFL/FR
 laurus nobilis leaf oil turkeyFL/FR
 sugandha kokila berry oilFR
 
For Flavor
 
No flavor group found for these
3-benzylidene-2-butanoneFL/FR
 bornyl isobutyrateFL/FR
 butyrophenoneFL/FR
 camphenilone 
 fenchoneFL/FR
 feverfew leaf oil belgium 
 laurel bark oil 
 laurel leaf absoluteFL/FR
 laurel stem oil 
 laurus nobilis leaf oilFL/FR
 laurus nobilis leaf oil turkeyFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
3-methyl cyclohexanoneFL
2-methyl-3-butanoneFL/FR
 verbenoneFL/FR
 yarrow oilFL/FR
 yarrow oil greeceFL/FR
 yarrow oil hungaryFL/FR
camphoreous
(±)-camphorFL/FR
 camphor tree bark oilFL/FR
 fencholFL/FR
 geranic oxideFL/FR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
cooling
beta-homocyclocitralFL/FR
laevo-fenchoneFL/FR
dextro-fenchoneFL/FR
spike lavender oilFL/FR
herbal
spike lavender absoluteFL/FR
spike lavender oil spainFL/FR
 rosemary absoluteFL/FR
 rosemary oil egyptFL/FR
medicinal
dextro-camphorFL/FR
spicy
 galangal root oilFL/FR
woody
alpha-pineneFL/FR
 
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Potential Uses:
 balsam 
 camphorFL/FR
 herbalFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
7-oxabicyclo[4.1.0]heptane-2,5-dione, 1,3,3-trimethyl-
 epoxy oxophorone
2,3-epoxy-2,6,6-trimethyl-1,4-cyclohexanedione
3,5,5-trimethyl-2,3-epoxy-cyclohexane-1,4-dione
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
1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2,5-dione
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