| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 65817-24-5 |
| FDA UNII: | 0XUR2L45V9 |
| Category: | flavoring agents |
| IUPAC Name: | dimethyl benzofuranone |
| InChI : | InChI=1/C10H10O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h3-5,7H,1-2H3/t7-/m0/s1 |
| Std.InChI: | InChI=1S/C10H10O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h3-5,7H,1-2H3/t7-/m0/s1 |
| InChIKey : | JSJKAEKKWQOCEZ-ZETCQYMHBG |
| Std.InChIKey: | JSJKAEKKWQOCEZ-ZETCQYMHSA-N |
| SMILES : | C[C@H]1C2=C(C=C(C=C2)C)OC1=O |
| Molar Refractivity : | 45.08 ± 0.3 cm3 (est) |
| Parachor : | 354.2 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.546 ± 0.02 (est) |
| Surface Tension : | 38.3 ± 3.0 dyne/cm (est) |
| Density : | 1.139 ± 0.06 g/cm3 (est) |
| Polarizability : | 17.87 ± 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: | 1167 2-(4-methyl-2-hydroxyphenyl)propionic acid-gamma-lactone |
| DG SANTE Food Flavourings: | 10.072 dimethyl-3,6-benzo-2(3H)-furanone |
| FEMA Number: | 3863 dimethylbenzofuranone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 65817-24-5 ; 2-(4-METHYL-2-HYDROXYPHENYL)PROPIONIC ACID-GAMMA-LACTONE |
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.09900 to 1.10400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.145 to 9.186 |
| Refractive Index: | 1.51800 to 1.52400 @ 20.00 °C. |
| Boiling Point: | 64.00 °C. @ 0.08 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.067000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 189.00 °F. TCC ( 87.22 °C. ) |
| logP (o/w): | 2.433 (est) |
| Soluble in: | |
| alcohol | |
| water, 3934 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| Axsyn |
| For experimental / research use only. |
| 2(3H)-Benzofuranone, 3,6-dimethyl- |
| Parchem |
| dimethyl benzofuranone |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the Chemical Sources Association |
| 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 dimethyl benzofuranone usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.84 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 2.00 (μg/capita/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: 18 | |||
| Click here to view publication 18 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | 1.00000 | 5.00000 | |
| beverages(alcoholic): | 2.00000 | 10.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 10.00000 | 50.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 5.00000 | 20.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 2.00000 | 10.00000 | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 2.00000 | 10.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 5.00000 | 20.00000 | |
| 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 80 (FGE.80) - Consideration of alicyclic, alicyclic-fused and aromatic-fused ring lactones evaluated by JECFA (61st meeting) structurally related to a aromatic lactone evaluated by EFSA in FGE.27 (2008) View page or View pdf |
| Flavouring Group Evaluation 80, Revision 1 (FGE.80Rev1): Consideration of alicyclic, alicyclic-fused and aromatic-fused ring lactones evaluated by JECFA (61st meeting) structurally related to a aromatic lactone evaluated by EFSA in FGE.27 (2008) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87. 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 :642887 |
| National Institute of Allergy and Infectious Diseases:Data |
| (3S)-3,6-dimethyl-3H-1-benzofuran-2-one |
| Chemidplus:0065817245 |
| (3S)-3,6-dimethyl-3H-1-benzofuran-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 642887 |
| Pubchem (sid): | 135299084 |
| (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): | HMDB38893 |
| FooDB: | FDB018355 |
| ChemSpider: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
| not found in nature |
| dimethyl-3,6-benzo-2(3H)-furanone | |
| (3S)-3,6- | dimethyl-3H-1-benzofuran-2-one |
| dimethylbenzofuranone | |
| furaminton | |
| 2-(4- | methyl-2-hydroxyphenyl) propionic acid gamma-lactone |
| 2-(4- | methyl-2-hydroxyphenyl)propionic acid-gamma-lactone |
| None found yet. Try the PubMed Search. |
