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(E)-coconut decanone ethyl
General Material Information
| Preferred name | (E)-coconut decanone ethyl |
| Trivial Name | trans-8-Ethyl-1-oxaspiro[4.5]decan-2-one |
| Short Description | (E)-ethyl laitone |
| Formula | C11 H18 O2 |
| CAS Number | 91069-40-8 |
| FDA UNII | Search |
| xLogP3-AA | 2.60 (est) |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| (E)-8-methyl-1-oxaspiro(4.5)decan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 18598146 |
| Pubchem (sid): | 135261666 |
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 |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 182.26286315918 |
| Boiling Point | 277 to 279°C @ 760 mm Hg |
| Vapor Pressure | 0.00401 mmHg @ 25 °C |
| Flash Point TCC Value | 112.1 °C TCC |
| logP (o/w) | 2.34 est |
| Solubility | |
| alcohol | Yes |
| water, 203.7 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Spicy | |
| spicy, creamy, lactonic, cinnamon | |
| General comment | At 1.00 % in dipropylene glycol. slight cinnamic aldehyde creamy lactone |
Safety Information
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, solvents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for (E)-coconut decanone ethyl 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):91069-40-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :18598146 |
| National Institute of Allergy and Infectious Diseases:Data |
| (E)-8-methyl-1-oxaspiro(4.5)decan-2-one |
| Chemidplus:0091069395 |