Articles:
| US Patents: | 4,892,966 - Acetoacetic acid ester derivatives for the manufacture of .alpha.-hydroxycarbonyl compounds |
2-cyclopenten-1-one, 2-hydroxy-3,4,5-trimethyl-
Notes:
Aroma constit. of roasted Arabica coffee beans as mixed cis- and trans- isomers. Flavouring agent
| Fragrance Demo Formulas Flavor Demo Formulas | ||
| CAS Number: | 109682-87-3 |  3D/inchi
|
| XlogP3-AA: | 1.20 (est) | |
| Molecular Weight: | 140.18204000 | |
| Formula: | C8 H12 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and 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 |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | white crystals (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 249.61 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.004000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 217.00 °F. TCC ( 102.80 °C. ) (est) |
| logP (o/w): | 0.641 (est) |
| Soluble in: | |
| water, 1285 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: sweet | |
| sweet burnt spicy caramellic maple coffee bready licorice | |
| Odor Description: | sweet burnt powerful spicy corylone-like caramel maple coffee bread licorice |
| 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: | flavor and fragrance agents | ||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
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 : | 528707 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one |
References:
| 2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 528707 |
| Pubchem (cas): | 109682-87-3 |
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): | HMDB39652 |
| FooDB: | FDB019281 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| caramellic | ||
| cyclotene | FL/FR | |
| 5- | methyl furfural | FL/FR |
| For Flavor | ||
| brown | ||
| 5- | methyl furfural | FL/FR |
| caramellic | ||
| cyclotene | FL/FR | |
| molasses | ||
| molasses blackstrap | FL | |
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| coffee roasted coffee Search PMC Picture |
Synonyms:
| 2- | cyclopenten-1-one, 2-hydroxy-3,4,5-trimethyl- |
| 2- | hydroxy-3,4,5-trimethylcyclopent-2-en-1-one |
| 3,4,5- | trimethyl-2-hydroxycyclopent-2-en-1-one |