ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate
(+-)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester
Identification
| Name | ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate |
| IUPAC | ethyl bicyclo[2.2.1]hept-2-ene-5-carboxylate |
| CAS Number | 10138-32-6 |
| FDA UNII | QEA96R4A1Z |
| Molecular Formula | C10 H14 O2 |
| Molecular Weight | 166.21998000 |
| Nikkaji Number | J41.837D |
Regulatory
| JECFA Food Flavoring | 2255 (+-)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester |
| FEMA Number | 4790 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 216.20 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 0.100000 mmHg @ 25.00 °C. (est) |
| Flash Point | 168.00 °F. TCC ( 75.30 °C. ) (est) |
| logP (o/w) | 2.270 (est) |
| Soluble in | water, 256 mg/L @ 25 °C (est) |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| Oral/Parenteral Toxicity | oral-rat LD50 4290 uL/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5 mL/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| baked goods | 0.50000 |
| beverages(nonalcoholic) | 0.20000 |
| beverages(alcoholic) | 0.20000 |
| breakfast cereal | 0.50000 |
| cheese | - |
| chewing gum | 0.50000 |
| condiments / relishes | - |
| confectionery froastings | 0.40000 |
| egg products | - |
| fats / oils | 0.02000 |
| fish products | - |
| frozen dairy | 0.30000 |
| fruit ices | 0.30000 |
| gelatins / puddings | 0.20000 |
| granulated sugar | - |
| gravies | - |
| hard candy | 0.40000 |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | 0.40000 |
| meat products | 0.05000 |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | 0.10000 |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 0.20000 |
| snack foods | - |
| soft candy | 0.30000 |
| soups | 0.05000 |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, ethyl ester
bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester
(+-)-
bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester
5-nor
bornene-2-carboxylic acid ethyl ester
5-nor
bornene-2-carboxylic acid, ethyl ester
ethyl 5-norbornene-2-carboxylate
ethyl bicyclo(2.2.1)hept-5-ene-2-carboxylate
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