Articles:
| US Patents: | 4,892,966 - Acetoacetic acid ester derivatives for the manufacture of .alpha.-hydroxycarbonyl compounds |
2-cyclopenten-1-one, 5-ethyl-2-hydroxy-3-methyl
Notes:
Present in roast Arabica coffeee bean volatiles. Flavouring agent
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| CAS Number: | 53263-58-4 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 258-451-6 | |
| Nikkaji Web: | J295.917H | |
| CoE Number: | 11078 | |
| XlogP3-AA: | 1.20 (est) | |
| Molecular Weight: | 140.18204000 | |
| Formula: | C8 H12 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavoring 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 |
| JECFA Food Flavoring: | 423 5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one |
| DG SANTE Food Flavourings: | 07.118 5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one |
| FEMA Number: | 3454 5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 53263-58-4 ; 5-ETHYL-2-HYDROXY-3-METHYLCYCLOPENT-2-EN-1-ONE |
Physical Properties:
| Assay: | 99.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.05300 to 1.06000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.762 to 8.820 |
| Refractive Index: | 1.47800 to 1.48400 @ 20.00 °C. |
| Boiling Point: | 260.00 to 261.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 226.00 °F. TCC ( 107.78 °C. ) |
| logP (o/w): | 0.615 (est) |
| Soluble in: | |
| alcohol | |
| water, slightly | |
| water, 1112 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: malty | |
| malty caramellic | |
| Odor Description: at 1.00 % in propylene glycol. | malty caramellic |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Anhui Haibei |
| 5-Ethyl-3-methyl Cyclotene |
| Axsyn |
| For experimental / research use only. |
| 2-Cyclopenten-1-one,5-ethyl-2-hydroxy-3-methyl- |
| BOC Sciences |
| For experimental / research use only. |
| 5-Ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one > 95% |
| Parchem |
| 5-ethyl-3-methyl cyclotene |
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: | flavoring agents | ||
| Recommendation for 5-ethyl-3-methyl cyclotene usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.38 (μg/capita/day) | ||
| Structure Class: | II | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 9 | |||
| Click here to view publication 9 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 2.00000 | |
| beverages(nonalcoholic): | - | 2.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 2.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 3.00000 | |
| fruit ices: | - | 3.00000 | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | 1.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| European Food Safety Athority(EFSA): | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): | |
| Flavouring Group Evaluation 213: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 213, Revision 2 (FGE.213Rev2): Consideration of genotoxic potential for a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19 View page or View pdf | |
| 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 : | 65427 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one | |
| Chemidplus: | 0053263584 |
References:
| 5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 53263-58-4 |
| Pubchem (cid): | 65427 |
| Pubchem (sid): | 135022193 |
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB37167 |
| FooDB: | FDB016163 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| bread | FL | |
| cereal | FL | |
| coffee | FL |
Occurrence (nature, food, other): note
| coffee roasted coffee Search PMC Picture |
Synonyms:
| 2- | cyclopenten-1-one, 2-hydroxy-5-ethyl-3-methyl |
| 2- | cyclopenten-1-one, 5-ethyl-2-hydroxy-3-methyl |
| 5- | ethyl-2-hydroxy-3-methyl cyclopent-2-en-1-one |
| 5- | ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one |
| 5- | ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one |
| 5- | ethyl-3-methylcyclotene |