| Preferred name | fruity carboxylate |
| Trivial Name | (3aalpha,4beta,7beta,7aalpha)-octahydro-4,7-methano-3aH-indene-3a-carboxylic acid ethyl ester |
| Short Description | fruitate |
| Formula | C13 H20 O2 |
| CAS Number | 80623-07-0 |
| CAS Number | 80657-64-3 |
| FDA UNII | Search |
| xLogP3-AA | 3.40 (est) |
| NMR Predictor | External link |
| Synonyms |
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| 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 |
| (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 |
| Export Tariff Code: | 2916.20.0000 |
| ChemSpider: | View |
| Material listed in food chemical codex | No |
| Molecular weight | 208.30079650879 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.614 to 8.756 |
| Refractive Index | 1.482 to 1.488 @ 20 °C |
| Boiling Point | 254 to 261°C @ 760 mm Hg |
| Vapor Pressure | 0.011 mmHg @ 25 °C |
| Flash Point TCC Value | 103.33 °C TCC |
| logP (o/w) | 3.699 est |
| Solubility | |
| alcohol | Yes |
| water, 34.14 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| ph from 1.5 - 11 | Unspecified |
| Odor Type: Fruity | |
| sweet, fruity, rummy, candy, floral, ripe | |
| Odor strength | medium |
| Substantivity | 144 hour(s) at 100.00 % |
| Luebke, William tgsc, (1991) | At 100.00 %. sweet fruity rum candy floral ripe |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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 > 5000 mg/kg Kao Corporation | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 2000 mg/kg Kao Corporation | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| 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 fruity carboxylate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for fruity carboxylate flavor usage levels up to: | |||
| not for flavor use. | |||
| 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 :157342 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| (3aalpha,4beta,7beta,7aalpha)-octahydro-4,7-methano-3aH-indene-3a-carboxylic acid ethyl ester |
| Chemidplus:0080623070 |
| (3aalpha,4alpha,7alpha,7aalpha)-octahydro-4,7-methano-3aH-indene-3a-carboxylic acid ethyl ester |
| Chemidplus:080657643 |