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cyclotene hydrate
General Material Information
| Preferred name | cyclotene hydrate |
| Trivial Name | 2-Hydroxy-3-methyl-2-cyclopenten-1-one |
| Short Description | methyl cyclopentenolone hydrate |
| Formula | C6 H8 O2 |
| CAS Number | 80-71-7 |
| FEMA Number | 2700 |
| Flavis Number | 7.056 |
| ECHA Number | 201-303-2 |
| FDA UNII | 627E92X64B |
| Nikkaji Number | J10.510D |
| Beilstein Number | 2039308 |
| COE Number | 758 |
| xLogP3-AA | 0.30 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 418 methylcyclo- pentenolone |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| 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 |
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 |
| YMDB (Yeast Metabolome Database): | YMDB01663 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 112.12815856934 |
| Melting Point | 104 to 108°C @ 760 mm Hg |
| Vapor Pressure | 0.005 mmHg @ 25 °C |
| Flash Point TCC Value | 93.33 °C TCC |
| logP (o/w) | -0.43 est |
| Solubility | |
| alcohol | Yes |
| water, slightly | Yes |
| water, 8501 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Caramellic | |
| caramellic, maple | |
| General comment | At 1.00 % in dipropylene glycol. caramel maple syrup |
| Flavor Type: Caramellic | |
| caramellic, maple | |
| General comment | Caramellic |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Allspice , Banana , Bay rum , Blackberry , Butterscotch , Cinnamon , Coconut , Coffee , Cotton candy , Cranberry , Fenugreek , Fig , Fir balsam , Gingerbread , Honeysuckle , Mango , Maple , Melon , Mulberry , Musk , Papaya , Passion fruit , Peach , Pina colada , Pineapple , Pomegranate , Pumpkin pie , Tobacco , Toffee , Tonka bean , Vanilla |
| Flavoring purposes | Butter rum , Caramel , Fenugreek , Nut , Sugar brown sugar |
| Other purposes | Fir |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| 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: | |
| oral-guinea pig LD50 1400 mg/kg oral-guinea pig LD50 1400 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 809, 1976. intraperitoneal-mouse LDLo 500 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 809, 1976. intraperitoneal-rat LDLo 500 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 809, 1976. | |
| 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 | |||
| Recommendation for cyclotene hydrate usage levels up to: | |||
| 0.0500 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 570.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 710.00 (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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 13.00000 | |
| beverages(nonalcoholic): | - | 11.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 8.00000 | 15.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 5.60000 | |
| fruit ices: | - | 5.60000 | |
| gelatins / puddings: | - | 14.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 18.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| 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 83, Revision 1 (FGE.83Rev1): Consideration of ethyl maltol and two 6-keto-1,4-dioxane derivatives substances evaluated by JECFA (65th meeting) 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 |
| Safety and efficacy of secondary aliphatic saturated or unsaturated alcohols, ketones, ketals and esters with a second secondary or tertiary oxygenated functional group belonging to chemical group 10 when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA GENetic TOXicology:Search |
| EPA Substance Registry Services (TSCA):80-71-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6660 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 2-hydroxy-3-methylcyclopent-2-en-1-one |
| Chemidplus:0000080717 |
| RTECS:GY7298000 for cas# 80-71-7 |