Articles:
| PubMed: | Chemical composition and biological activities of the essential oil from Calamintha nepeta plants from the wild in southern Italy. |
(1aR,7S,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
Notes:
None found
| CAS Number: | 85760-81-2 |  3D/inchi
|
| XlogP3-AA: | 4.70 (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:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 258.00 to 259.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.023000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 224.00 °F. TCC ( 106.50 °C. ) (est) |
| logP (o/w): | 6.427 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.07057 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 alloaromadendrene epoxide usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for alloaromadendrene epoxide 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 : | 5317401 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (1aR,7S,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene |
References:
| (1aR,7S,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5317401 |
| Pubchem (sid): | 52923394 |
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 |
| 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
| ageratum fastigiatum Search Trop Picture | |
| ballota nigra Search Trop Picture | |
| croton palanostigma Search Trop Picture | |
| eupatorium cannabinum Search Trop Picture | |
| heliotrope european heliotrope Search Trop Picture | |
| marula Search Trop Picture | |
| stachys menthifolia Search Trop Picture | |
| teucrium massiliense Search Trop Picture | |
| teucrium scordium Search Trop Picture | |
| valeriana sisymbriifolia Search Trop Picture |
Synonyms:
| (1aR,7S,7bS)-1,1,7- | trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene |