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2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undecan-5-one
Notes:
None found
| CAS Number: | 29461-13-0 |  3D/inchi
|
| Other(deleted CASRN): | 26839-48-5 | |
| ECHA EINECS - REACH Pre-Reg: | 249-648-8 | |
| Nikkaji Web: | J195.737F | |
| XlogP3-AA: | 4.00 (est) | |
| Molecular Weight: | 220.35548000 | |
| Formula: | C15 H24 O | |
| 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:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 85.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.00000 to 1.01000 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.331 to 8.414 |
| Refractive Index: | 1.50000 to 1.50800 @ 20.00 °C. |
| Boiling Point: | 286.00 to 287.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.003000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 248.00 °F. TCC ( 119.70 °C. ) |
| logP (o/w): | 4.175 (est) |
| Soluble in: | |
| alcohol | |
| water, 18.94 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: woody | |
| woody patchouli | |
| Odor Description: at 100.00 %. | woody patchouli |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
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. | |
| Human Experience: | |
| Undiluted liquid may cause skin and eye irritation | |
| 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 hexahydrotetramethyl methanonaphthalen-8-one usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Recommendation for hexahydrotetramethyl methanonaphthalen-8-one 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 : | 90978 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene-10-one | |
| Chemidplus: | 0029461130 |
References:
| 2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene-10-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 29461-13-0 |
| Pubchem (cid): | 90978 |
| Pubchem (sid): | 135049532 |
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 |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| (2a,4aa,8a)- | hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one |
| (2alpha,4aalpha,8beta)- | hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one |
| 1,3,4,6,7,8a- | hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one |
| iso | longifolanone |
| iso | longifolene ketone exo |
| 2H-2,4a- | methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl- |
| 2H-2,4a- | methanonaphthalen-8(5H)-one, hexahydro-1,1,5,5-tetramethyl- |
| 2,2,7,7- | tetramethyltricyclo(6.2.1.0(1,6))-undecan-5-one |
| 2,2,7,7- | tetramethyltricyclo[6.2.1.01,6]undecan-5-one |