Articles:
2,4,6-cycloheptatrien-1-one, 2-hydroxy-7-(1-methylethyl)- (9CI)
Notes:
None found
| CAS Number: | 1946-74-3 |  3D/inchi
|
| Nikkaji Web: | J12.272F | |
| XlogP3-AA: | 2.10 (est) | |
| Molecular Weight: | 164.20404000 | |
| Formula: | C10 H12 O2 | |
| BioActivity Summary: | listing | |
| 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 |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 302.80 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 262.00 °F. TCC ( 127.90 °C. ) (est) |
| logP (o/w): | 1.890 (est) |
| Soluble in: | |
| water, 1592 mg/L @ 25 °C (est) | |
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 alpha-thujaplicin usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for alpha-thujaplicin flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 80297 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 2-hydroxy-3-propan-2-ylcyclohepta-2,4,6-trien-1-one | |
| Chemidplus: | 0001946743 |
References:
| 2-hydroxy-3-propan-2-ylcyclohepta-2,4,6-trien-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 80297 |
| Pubchem (sid): | 135037093 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB35213 |
| 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
| cedar western red cedar Search Trop Picture |
Synonyms:
| 2,4,6- | cycloheptatrien-1-one, 2-hydroxy-7-(1-methylethyl)- (9CI) |
| 2- | hydroxy-3-(1-methyl ethyl)-2,4,6-cycloheptatrien-1-one |
| 2- | hydroxy-3-propan-2-ylcyclohepta-2,4,6-trien-1-one |
| beta-iso | propyl tropolone |
| beta-iso | propyltropolone |
| a- | thujaplicin |