| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 26927-90-2 |
| FDA UNII: | Search |
| Category: | information only not used for fragrances or flavors |
| IUPAC Name: | bornyl benzoate |
| InChI : | InChI=1/C17H22O2/c1-16(2)13-9-10-17(16,3)14(11-13)19-15(18)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14+,17+/m0/s1 |
| Std.InChI: | InChI=1S/C17H22O2/c1-16(2)13-9-10-17(16,3)14(11-13)19-15(18)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14+,17+/m0/s1 |
| InChIKey : | FLOISDYCXINJOB-JJRVBVJIBS |
| Std.InChIKey: | FLOISDYCXINJOB-JJRVBVJISA-N |
| SMILES : | C[C@]12CC[C@H](C1(C)C)C[C@H]2OC(=O)C3=CC=CC=C3 |
| Molar Refractivity : | 75.42 ± 0.4 cm3 (est) |
| Parachor : | 599.3 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.546 ± 0.03 (est) |
| Surface Tension : | 40.1 ± 5.0 dyne/cm (est) |
| Density : | 1.08 ± 0.1 g/cm3 (est) |
| Polarizability : | 29.90 ± 0.5 10-24cm3 (est) |
| Appearance: | colorless solid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 328.00 to 329.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.000184 mmHg @ 25.00 °C. (est) |
| Flash Point: | 300.00 °F. TCC ( 149.00 °C. ) (est) |
| logP (o/w): | 5.365 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.6179 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| None found |
| 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: | |||
| information only not used for fragrances or flavors | |||
| Recommendation for bornyl benzoate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for bornyl benzoate 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 :6428443 |
| National Institute of Allergy and Infectious Diseases:Data |
| [(1S,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] benzoate |
| [(1S,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] benzoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6428443 |
| Pubchem (sid): | 10544224 |
| Flavornet: | 26927-90-2 |
| Pherobase: | View |
| (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: | FDB029760 |
| ChemSpider: | View |
| None Found |
| not found in nature |
| borneol benzoate | |
| [(1S,3R,4S)-4,7,7- | trimethyl-3-bicyclo[2.2.1]heptanyl] benzoate |
