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cyclopropa(5,6)naphth(1,8a-b)oxirene, decahydro-1,7,7,7b-tetramethyl-, (1R,3aS,4aR,6aR,7aS,7bR)-
Notes:
None found
| CAS Number: | 68926-75-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 272-995-1 | |
| 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 |
| Boiling Point: | 264.00 to 265.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.016000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 206.00 °F. TCC ( 96.60 °C. ) (est) |
| logP (o/w): | 4.326 (est) |
| Soluble in: | |
| alcohol | |
| water, 3.384 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: woody | |
| Odor Strength: | medium |
| woody patchouli ambergris | |
| Odor Description: at 100.00 %. | radiant woody patchouli ambergris |
| 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 calarene epoxide usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for calarene 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 Substance Registry Services (TSCA): | 68926-75-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 111446 |
| National Institute of Allergy and Infectious Diseases: | Data |
| Chemidplus: | 0068926750 |
References:
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 68926-75-0 |
| Pubchem (cid): | 111446 |
| Pubchem (sid): | 135068419 |
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 |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| For Odor | ||
| earthy | ||
| geosmin | FL/FR | |
| woody | ||
| patchouli oil | FL/FR | |
| For Flavor | ||
| earthy | ||
| geosmin | FL/FR | |
| woody | ||
| patchouli oil | FL/FR | |
Potential Uses:
| ambergris | FR | |
| patchouli | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| cyclopropa(5,6)naphth(1,8a-b)oxirene, decahydro-1,7,7,7b-tetramethyl-, (1R,3aS,4aR,6aR,7aS,7bR)- | |
| (1R-(1alpha,3abeta,4aR*,6aalpha,7aalpha,7balpha))- | decahydro-1,7,7,7b-tetramethyl cyclopropa(5,6)naphth(1,8a-b)oxirene |
| (1R,3aS,4aR,6aR,7aS,7bR)- | decahydro-1,7,7,7b-tetramethyl cyclopropa(5,6)naphth(1,8a-b)oxirene |
| decahydro-1,7,7,7b-tetramethyl cycloprope(5,6)naphth(1,8a-b)oxirene |