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1,6-methanonaphthalen-1(2H)-ol, 4a,5,6,7,8,8a-hexahydro-8a,9,9-trimethyl-, (1R,4aR,6S,8aR)-
Notes:
None found
| CAS Number: | 41429-52-1 |  3D/inchi
|
| XlogP3-AA: | 3.50 (est) | |
| Molecular Weight: | 206.32854000 | |
| Formula: | C14 H22 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Google Patents: | Search |
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| EU Patents: | Search |
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Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 275.00 to 276.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 238.00 °F. TCC ( 114.30 °C. ) (est) |
| logP (o/w): | 3.546 (est) |
| Soluble in: | |
| alcohol | |
| water, 180.6 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 norpatchoulenol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for norpatchoulenol flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
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| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6451732 |
| National Institute of Allergy and Infectious Diseases: | Data |
| Chemidplus: | 0041429521 |
References:
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6451732 |
| Pubchem (sid): | 135250034 |
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 |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| patchouli | FR |
Occurrence (nature, food, other): note
| patchouli oil @ 1.18% Data GC Search Trop Picture | |
| patchouli oil 3-5% Search Trop Picture |
Synonyms:
| (1R-(1a,4aa,6β,8aa))-4a,5,6,7,8,8a- | hexahydro-8a,9,9-trimethyl-1,6-methanonaphthalen-1(2H)-ol |
| (1R-(1alpha,4aalpha,6beta,8aalpha))-4a,5,6,7,8,8a- | hexahydro-8a,9,9-trimethyl-1,6-methanonaphthalen-1(2H)-ol |
| 1,6- | methanonaphthalen-1(2H)-ol, 4a,5,6,7,8,8a-hexahydro-8a,9,9-trimethyl-, (1R,4aR,6S,8aR)- |