Articles:
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oct-5-en-2-one
Notes:
Isol. from bergamot orange (Citrus bergamia) and black tea
| CAS Number: | 36359-70-3 |  3D/inchi
|
| CoE Number: | 11171 | |
| XlogP: | 2.20 (est) | |
| Molecular Weight: | 126.19878000 | |
| Formula: | C8 H14 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | (E)-5-octen-2-one | |
| (Z)-5-octen-2-one | ||
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 |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.84200 to 0.84800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.006 to 7.056 |
| Refractive Index: | 1.43100 to 1.43700 @ 20.00 °C. |
| Boiling Point: | 115.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 1.210000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 1250.00 °F. TCC ( 52.10 °C. ) (est) |
| logP (o/w): | 2.070 (est) |
| Soluble in: | |
| alcohol | |
| water, 1843 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 5-octen-2-one usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 5-octen-2-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 Substance Registry Services (TSCA): | 36359-70-3 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| National Institute of Allergy and Infectious Diseases: | Data |
| oct-5-en-2-one |
References:
| oct-5-en-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 36359-70-3 |
| Pubchem (cas): | 36359-70-3 |
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): | HMDB35390 |
| FooDB: | FDB014065 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| bergamot fruit Search Trop Picture | |
| bergamot oil @ trace% Data GC Search Trop Picture | |
| tea black tea Search Trop Picture |
Synonyms:
| oct-5-en-2-one |