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ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate
General Material Information
| Preferred name | ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate |
| Trivial Name | Ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate |
| Short Description | (+-)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester |
| Formula | C10 H14 O2 |
| CAS Number | 10138-32-6 |
| FEMA Number | 4790 |
| FDA UNII | QEA96R4A1Z |
| Nikkaji Number | J41.837D |
| xLogP3-AA | 1.90 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 2255 (+-)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| 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
| ethyl bicyclo[2.2.1]hept-2-ene-5-carboxylate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 24986 |
| Pubchem (sid): | 134990022 |
| Publications by US Patents | |
| 8,114,823 - Isomers of bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester and their use in perfume compositions | |
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 |
| ChemSpider: | View |
Suppliers
| BOC Sciences |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 166.21998596191 |
| Vapor Pressure | 0.1 mmHg @ 25 °C |
| Flash Point TCC Value | 75.3 °C TCC |
| logP (o/w) | 2.27 est |
| Solubility | |
| water, 256 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, green, watery, honeydew | |
| General comment | At 100.00 %. fruity green watery honeydew |
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: | |
| oral-rat LD50 4290 uL/kg American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5 mL/kg American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| 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 | |||
| 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: 27 | |||
| Click here to view publication 27 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.50000 | 1.00000 | |
| beverages(nonalcoholic): | 0.20000 | 1.00000 | |
| beverages(alcoholic): | 0.20000 | 1.00000 | |
| breakfast cereal: | 0.50000 | 1.00000 | |
| cheese: | - | - | |
| chewing gum: | 0.50000 | 2.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 0.40000 | 2.00000 | |
| egg products: | - | - | |
| fats / oils: | 0.02000 | 0.50000 | |
| fish products: | - | - | |
| frozen dairy: | 0.30000 | 1.00000 | |
| fruit ices: | 0.30000 | 1.00000 | |
| gelatins / puddings: | 0.20000 | 1.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 0.40000 | 2.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | 0.40000 | 2.00000 | |
| meat products: | 0.05000 | 0.50000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 0.10000 | 1.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 0.20000 | 1.00000 | |
| snack foods: | - | - | |
| soft candy: | 0.30000 | 2.00000 | |
| soups: | 0.05000 | 0.80000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):10138-32-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :24986 |
| National Institute of Allergy and Infectious Diseases:Data |
| ethyl bicyclo[2.2.1]hept-2-ene-5-carboxylate |
| Chemidplus:0010138326 |