Articles:
4,7-methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-
Notes:
Constit. of guaiac wood oil (Bulnesia sarmienti)
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| CAS Number: | 514-51-2 |  3D/inchi
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| ECHA EINECS - REACH Pre-Reg: | 208-182-5 | |
| XlogP3-AA: | 4.30 (est) | |
| Molecular Weight: | 204.35628000 | |
| Formula: | C15 H24 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: fragrance agents
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 |
| Perfumer and Flavorist: | 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: | 260.00 to 262.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.020000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 211.00 °F. TCC ( 99.44 °C. ) |
| logP (o/w): | 6.129 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.1165 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| beta-Patchoulene |
| Carbosynth |
| For experimental / research use only. |
| b-Patchoulene |
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: | fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for beta-patchoulene 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): | 514-51-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 101731 |
| National Institute of Allergy and Infectious Diseases: | Data |
| Chemidplus: | 0000514512 |
References:
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 514-51-2 |
| Pubchem (cid): | 101731 |
| Pubchem (sid): | 135059463 |
| 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 |
| HMDB (The Human Metabolome Database): | HMDB36736 |
| FooDB: | FDB015673 |
| Typical G.C. | |
| 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
| basil flower oil sweet @ 0.79% Data GC Search Trop Picture | |
| basil leaf oil sweet (ocimum basilicum) @ 0.90% Data GC Search Trop Picture | |
| guaiacwood oil Search Trop Picture | |
| patchouli oil @ 13.75% Data GC Search Trop Picture | |
| patchouli oil china @ 6.91% Data GC Search Trop Picture | |
| spikenard oil @ 0.70% Data GC Search Trop Picture | |
| tagete oil CO2 extract @ 0.10% Data GC Search Trop Picture | |
| tagete oil egypt @ 0.37% Data GC Search Trop Picture |
Synonyms:
| azulene,1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-4,7-methano- | |
| 4,7- | methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl- |
| (1S-(1a,4a,7a))-1,2,3,4,5,6,7,8- | octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene |
| (1S-(1alpha,4alpha,7alpha))- 1,2,3,4,5,6,7,8- | octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene |
| (1S,4R,7R)- 1,2,3,4,5,6,7,8- | octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene |
| octahydrotetramethyl methanoazulene | |
| (-)-beta- | patchoulene |
| b- | patchoulene |
| beta- | patchoulene |
| 1,4,9,9- | tetramethyl-1,2,3,4,5,6,7,8-octahydro-4,7-methanoazulene |