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1-(3-hydroxy-5-methyl-2-thienyl) ethanone
General Material Information
| Preferred name | 1-(3-hydroxy-5-methyl-2-thienyl) ethanone |
| Trivial Name | 1-(3-Hydroxy-5-methyl-2-thienyl)ethanone |
| Short Description | 1-(3-hydroxy-5-methyl-2-thienyl)ethanone |
| Formula | C7 H8 O2 S |
| CAS Number | 133860-42-1 |
| FEMA Number | 4142 |
| FDA UNII | U0W0KQ1EET |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1750 1-(3-hydroxy-5-methyl-2-thienyl)ethanone |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 133860-42-1 ; 1-(3-HYDROXY-5-METHYL-2-THIENYL)ETHANONE |
| 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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB32334 |
| FooDB: | FDB009607 |
| ChemSpider: | View |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 156.20416259766 |
| Melting Point | 73 to 76°C @ 760 mm Hg |
| Boiling Point | 268 to 269°C @ 760 mm Hg |
| Vapor Pressure | 0.004 mmHg @ 25 °C |
| Flash Point TCC Value | 118.5 °C TCC |
| logP (o/w) | 1.473 est |
| Solubility | |
| alcohol | Yes |
| water, slightly | Yes |
| water, 3308 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Meaty | |
| meaty, brown, cooked, roasted | |
| General comment | At 0.10 % in propylene glycol. meaty brown cooked roasted |
Potential Uses
| Applications | |
| Odor purposes | Hawthorn |
| Flavoring purposes | Bacon , Beef , Beef roasted beef , Chicken , Lamb , Liver , Meat , Meat grilled meat , Meat roasted meat , Meat smoked meat , Pork , Salami , Turkey |
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: | |||
| flavoring agents | |||
| Recommendation for 1-(3-hydroxy-5-methyl-2-thienyl) ethanone usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | ND (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | ND (μg/person/day) | ||
| Threshold of Concern: | 540 (μg/person/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: 22 | |||
| Click here to view publication 22 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.20000 | 0.50000 | |
| beverages(nonalcoholic): | 0.10000 | 0.30000 | |
| beverages(alcoholic): | 0.10000 | 0.50000 | |
| breakfast cereal: | 0.20000 | 0.50000 | |
| cheese: | - | - | |
| chewing gum: | 2.00000 | 5.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 0.20000 | 0.40000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | 0.10000 | 0.30000 | |
| gelatins / puddings: | 0.10000 | 0.30000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 0.30000 | 0.50000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | 0.20000 | 0.30000 | |
| meat products: | - | - | |
| milk products: | 0.20000 | 0.30000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 3.00000 | 5.00000 | |
| snack foods: | - | - | |
| soft candy: | 2.00000 | 5.00000 | |
| 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 93 (FGE.93): Consideration of sulphur heterocyclic evaluated by JECFA (68th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl evaluated by EFSA in FGE.21Rev1 (2009) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 93, Revision 1 (FGE.93Rev1): Consideration of sulphur containing heterocyclic compounds evaluated by JECFA (68th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives evaluated by EFSA in FGE.21Rev3 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 :14837639 |
| National Institute of Allergy and Infectious Diseases:Data |
| 1-(3-hydroxy-5-methylthiophen-2-yl)ethanone |
| Chemidplus:0133860421 |