Articles:
(3S,4aR,10aS,10bS)-3,4a,7,7,10a-pentamethyl-3-vinyldodecahydro-1H-benzo[f]chromene
Notes:
None found
| CAS Number: | 1227-93-6 |  3D/inchi
|
| XlogP3-AA: | 5.90 (est) | |
| Molecular Weight: | 290.49018000 | |
| Formula: | C20 H34 O | |
| 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 |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 338.60 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 311.00 °F. TCC ( 154.80 °C. ) (est) |
| logP (o/w): | 7.180 (est) |
| Soluble in: | |
| water, 0.04131 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 13-epimanoyl oxide usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 13-epimanoyl oxide flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 18529657 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (3S,4aR,10aS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene |
References:
| (3S,4aR,10aS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 18529657 |
| Pubchem (sid): | 30637437 |
| 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
| cistus oil @ 0.3% Data GC Search Trop Picture | |
| found in nature | |
| rhizophora mangle bark oil cuba @ 9.60% Data GC Search Trop Picture | |
| salvia sclarea oil greece @ 0.15% Data GC Search Trop Picture | |
| salvia sclarea oil spain @ 1.14% Data GC Search Trop Picture |
Synonyms:
| (3S,4aR,10aS)-3- | ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene |
| 13-epi- | manoyl oxide |
| (3S,4aR,10aS,10bS)-3,4a,7,7,10a- | pentamethyl-3-vinyldodecahydro-1H-benzo[f]chromene |