Articles:
1H-3a,6-methanoazulene-3-methanol, octahydro-7,7-dimethyl-8-methylene-, (3S-(3a,3aa,6a,8aa))-
Notes:
a non-peptide molecule isolated from vetiveria zizanioides; a sesquiterpene alcohol; inhibits the binding of vasopressin to rat liver vasopressin v(1a) receptors.
| CAS Number: | 16223-63-5 |  3D/inchi
|
| FDA UNII: | T4N33ECG0W | |
| Nikkaji Web: | J13.966A | |
| XlogP3-AA: | 3.70 (est) | |
| Molecular Weight: | 220.35548000 | |
| Formula: | C15 H24 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 |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Refractive Index: | 1.51830 to 2.40000 @ 0.00 °C. |
| Boiling Point: | 140.00 to 145.00 °C. @ 0.70 mm Hg |
| Boiling Point: | 313.00 to 314.00 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 247.00 °F. TCC ( 119.70 °C. ) (est) |
| logP (o/w): | 4.309 (est) |
| Soluble in: | |
| alcohol | |
| water, 21.1 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
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 tricyclovetivenol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for tricyclovetivenol 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 : | 167519 |
| National Institute of Allergy and Infectious Diseases: | Data |
| Chemidplus: | 0016223635 |
References:
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 167519 |
| Pubchem (sid): | 135122972 |
| 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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| vetiver Search Trop Picture |
Synonyms:
| [(3S,3aR,6R,8aS)-7,7- | dimethyl-8-methylideneoctahydro-1H-3a,6-methanoazulen-3-yl]methanol |
| khusimol | |
| 1H-3a,6- | methanoazulene-3-methanol, octahydro-7,7-dimethyl-8-methylene-, (3S-(3a,3aa,6a,8aa))- |
| 1H-3a,6- | methanoazulene-3-methanol, octahydro-7,7-dimethyl-8-methylene-, (3S,3aR,6R,8aS)- |
| (3S-(3alpha,3aalpha,6alpha,8aalpha))- | octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-methanol |