Articles:
1,4,9,9-tetramethyl-2,4,5,6,7,8-hexahydro-3h-3a,7-methanoazulene
Notes:
Isol. from Cyperus rotundus (nutgrass) and other plants
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| CAS Number: | 2387-78-2 |  3D/inchi
|
| Nikkaji Web: | J187.494B | |
| XlogP3-AA: | 4.30 (est) | |
| Molecular Weight: | 204.35628000 | |
| Formula: | C15 H24 | |
| BioActivity Summary: | listing | |
| 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 |
| Boiling Point: | 268.91 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.012000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 219.00 °F. TCC ( 103.80 °C. ) (est) |
| logP (o/w): | 6.185 (est) |
| Soluble in: | |
| water, 0.1165 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Arora Aromatics |
| Cyprene ex Cypriol |
| BOC Sciences |
| For experimental / research use only. |
| Cyperene > 95%
Odor: characteristic Use: Cyperene, a sesquiterpenic hydrocarbon, is one of the major chemical components found in the essential oil of Cyperus rotundus L. |
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 cyperene usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for cyperene 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 : | 99856 |
| National Institute of Allergy and Infectious Diseases: | Data |
| Chemidplus: | 0002387782 |
References:
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 99856 |
| Pubchem (sid): | 135055672 |
| 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 |
| KEGG (GenomeNet): | C17505 |
| HMDB (The Human Metabolome Database): | HMDB36004 |
| FooDB: | FDB014815 |
| Typical G.C. | |
| 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
| burdock root Search Trop Picture | |
| croton flavens l. (welensali) leaf oil curacao @ 0.50% Data GC Search Trop Picture | |
| nut grass Search Trop Picture | |
| yarrow Search Trop Picture |
Synonyms:
| (3aR-(3aalpha,4beta,7alpha))-2,4,5,6,7,8- | hexahydro-1,4,9,9-tetramethyl-3H-3a,7-methanoazulene |
| 3H-3a,7- | methanoazulene, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, (3aR-(3aa,4b,7a))- |
| 3H-3a,7- | methanoazulene, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, [3aR-(3aa,4b,7a)]- |
| 3H-3ab,7- | methanoazulene, 2,4,5,6,7a,8-hexahydro-1,4a,9,9-tetramethyl-, (-)- |
| 1,4,9,9- | tetramethyl-2,4,5,6,7,8-hexahydro-3h-3a,7-methanoazulene |