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wine lactone
General Material Information
| Preferred name | wine lactone |
| Trivial Name | (-)-Wine lactone |
| Short Description | (3S,3aS,7aR)-3a,4,5,7a-tetrahydro-3,6-dimethyl benzofuran-2(3H)-one |
| Formula | C10 H14 O2 |
| CAS Number | 182699-77-0 |
| FDA UNII | PBI72OD596 |
| Nikkaji Number | J2.095.802B |
| xLogP3-AA | 1.70 (est) |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| Leffingwell: | Chirality or Article |
| (3R,3aR,7aS)-3,6-dimethyl-3a,4,5,7a-tetrahydro-3H-1-benzofuran-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6430321 |
| Pubchem (sid): | 10546747 |
| Flavornet: | 182699-77-0 |
| Pherobase: | View |
Other Information
| (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 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB000878 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | 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 |
Suppliers
| BOC Sciences |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 166.21998596191 |
| Boiling Point | 285 to 286°C @ 760 mm Hg |
| Vapor Pressure | 0.003 mmHg @ 25 °C |
| Flash Point TCC Value | 115 °C TCC |
| logP (o/w) | 1.634 est |
| Solubility | |
| water, 1834 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Coconut | |
| coconut, dill, spicy, sweet | |
| General comment | At 10.00 % in dipropylene glycol. coconut dill spicy sweet |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Citrus , Coconut , Herbal , Tonka bean , Wine |
Safety Information
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 | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for wine lactone usage levels up to: | |||
| 0.5000 % in the fragrance concentrate. | |||
| 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 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 1.00000 | 5.00000 | |
| beverages(nonalcoholic): | 0.50000 | 5.00000 | |
| beverages(alcoholic): | 2.00000 | 10.00000 | |
| breakfast cereal: | 2.00000 | 10.00000 | |
| cheese: | 0.50000 | 2.00000 | |
| chewing gum: | 1.00000 | 10.00000 | |
| condiments / relishes: | 5.00000 | 20.00000 | |
| confectionery froastings: | 2.00000 | 10.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.50000 | 5.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 2.00000 | 10.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 1.00000 | 10.00000 | |
| imitation dairy: | 1.00000 | 10.00000 | |
| instant coffee / tea: | 1.00000 | 10.00000 | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 0.50000 | 2.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 50.00000 | 200.00000 | |
| snack foods: | - | - | |
| soft candy: | 2.00000 | 10.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| 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 :6430321 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| (3R,3aR,7aS)-3,6-dimethyl-3a,4,5,7a-tetrahydro-3H-1-benzofuran-2-one |
| Chemidplus:0182699770 |