| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 38284-11-6 |
| FDA UNII: | JR8FH7QZ8I |
| Category: | flavoring agents |
| IUPAC Name: | epoxyoxophorone |
| InChI : | InChI=1/C9H12O3/c1-8(2)4-5(10)6-9(3,12-6)7(8)11/h6H,4H2,1-3H3 |
| Std.InChI: | InChI=1S/C9H12O3/c1-8(2)4-5(10)6-9(3,12-6)7(8)11/h6H,4H2,1-3H3 |
| InChIKey : | VOFRQXZPJRQJIW-UHFFFAOYAA |
| Std.InChIKey: | VOFRQXZPJRQJIW-UHFFFAOYSA-N |
| SMILES : | CC1(CC(=O)C2C(C1=O)(O2)C)C |
| Molar Refractivity : | 41.51 ± 0.3 cm3 (est) |
| Parachor : | 352.6 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.494 ± 0.02 (est) |
| Surface Tension : | 37.5 ± 3.0 dyne/cm (est) |
| Density : | 1.180 ± 0.06 g/cm3 (est) |
| Polarizability : | 16.45 ± 0.5 10-24cm3 (est) |
| 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 |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1573 epoxyoxophorone |
| FEMA Number: | 4109 epoxyoxophorone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 38284-11-6 ; EPOXYOXOPHORONE |
| 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 mmHg @ 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 | |
| None found |
| 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 | |
| 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 ppm | average maximum ppm | ||
| baked goods: | 3.00000 | 15.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 2.00000 | 10.00000 | |
| cheese: | 2.00000 | 10.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | 5.00000 | 25.00000 | |
| confectionery froastings: | - | - | |
| egg products: | 2.00000 | 10.00000 | |
| fats / oils: | 2.00000 | 10.00000 | |
| fish products: | 3.00000 | 15.00000 | |
| frozen dairy: | 5.00000 | 25.00000 | |
| fruit ices: | 1.00000 | 5.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | 3.00000 | 15.00000 | |
| poultry: | - | - | |
| processed fruits: | 1.00000 | 5.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 2.00000 | 10.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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 |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| 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 |
| 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2,5-dione | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 3853254 |
| Pubchem (sid): | 135274132 |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB32252 |
| FooDB: | FDB009360 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FR | balsam |
| FL/FR | camphor tree bark |
| FL | herbal |
| 7-oxa | bicyclo[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 |
| Info:epoxides |
| US Patents:3,937,228 - Aromatic compositions |
| US Patents:Aromatic compositions |
| US Patents:Aromatic compositions |
| US Patents:Flavoring phenol or phenol derivative containing food or feed with cycloaliphatic derivatives |
| US Patents:Aromatic compositions |
