Articles:
(1S,3R,6R,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodec-3-yl acetate
Notes:
None found
| CAS Number: | 17806-59-6 |  3D/inchi
|
| XlogP3-AA: | 3.40 (est) | |
| Molecular Weight: | 280.40776000 | |
| Formula: | C17 H28 O3 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 60.00 to 61.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 280.00 to 283.00 °C. @ 754.00 mm Hg |
| Boiling Point: | 148.00 to 150.00 °C. @ 4.50 mm Hg |
| Vapor Pressure: | 0.000107 mmHg @ 25.00 °C. (est) |
| Flash Point: | 283.00 °F. TCC ( 139.40 °C. ) (est) |
| logP (o/w): | 4.231 (est) |
| Soluble in: | |
| water, 5.667 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
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: | natural substances and extractives | ||
| Recommendation for alpha-kessyl acetate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for alpha-kessyl acetate flavor usage levels up to: | |||
| not for flavor use. | |||
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 : | 6428963 |
| National Institute of Allergy and Infectious Diseases: | Data |
References:
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6428963 |
| Pubchem (sid): | 10544977 |
| 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 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| kesso oil Search PMC Picture | |
| valeriana officinalis rhizome oil @ 0.1-12.6% Data GC Search Trop Picture |
Synonyms:
| a- | kessyl acetate |
| (1S,3R,6R,8R)-1,5,9,9- | tetramethyl-10-oxatricyclo[6.2.2.02,6]dodec-3-yl acetate |