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1-(3-hydroxy-5-methyl-2-thienyl)ethanone
Notes:
Used as a food additive [EAFUS]
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 133860-42-1 |  3D/inchi
|
| FDA UNII: | U0W0KQ1EET | |
| Molecular Weight: | 156.20416000 | |
| Formula: | C7 H8 O2 S | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | (Flavour Industry, 2004). Substance no longer supported by Industry (EFSA, 2011). | |
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: | 1750 1-(3-hydroxy-5-methyl-2-thienyl)ethanone |
| FEMA Number: | 4142 1-(3-hydroxy-5-methyl-2-thienyl)ethanone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 133860-42-1 ; 1-(3-HYDROXY-5-METHYL-2-THIENYL)ETHANONE |
Physical Properties:
| Appearance: | white to pale yellow solid (est) |
| Assay: | 98.30 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 73.00 to 76.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 268.00 to 269.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.004000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 245.00 °F. TCC ( 118.50 °C. ) (est) |
| logP (o/w): | 1.473 (est) |
| Soluble in: | |
| alcohol | |
| water, slightly | |
| water, 3308 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: meaty | |
| meaty brown cooked roasted | |
| Odor Description: at 0.10 % in propylene glycol. | meaty brown cooked roasted |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| Ethanone, 1-(3-hydroxy-5-methyl-2-thienyl)- (9CI) |
| Parchem |
| 1-(3-hydroxy-5-methyl-2-thienyl) ethanone |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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 |
References:
| 1-(3-hydroxy-5-methylthiophen-2-yl)ethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 14837639 |
| Pubchem (sid): | 135267266 |
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 |
Potential Blenders and core components note
Potential Uses:
| bacon | FL | |
| beef | FL | |
| beef roasted beef | FL | |
| chicken | FL | |
| hawthorn | FR | |
| lamb | FL | |
| liver | FL | |
| meat | FL | |
| meat grilled meat | FL | |
| meat roasted meat | FL | |
| meat smoked meat | FL | |
| pork | FL | |
| salami | FL | |
| turkey | FL |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| ethanone, 1-(3-hydroxy-5-methyl-2-thienyl)- | |
| 1-(3- | hydroxy-5-methyl-2-thienyl)-ethanone |
| 1-(3- | hydroxy-5-methyl-2-thienyl)ethanone |
| 1-(3- | hydroxy-5-methylthiophen-2-yl)ethanone |