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bread thiophene
General Material Information
| Preferred name | bread thiophene |
| Trivial Name | 5-Methyl-2-thiophenecarboxaldehyde |
| Short Description | 5-methyl-2-thiophenecarboxaldehyde |
| Formula | C6 H6 O S |
| CAS Number | 13679-70-4 |
| FEMA Number | 3209 |
| Flavis Number | 15.004 |
| ECHA Number | 237-178-6 |
| FDA UNII | UDF14S002L |
| Nikkaji Number | J5.207H |
| Beilstein Number | 0106896 |
| MDL | MFCD00005434 |
| COE Number | 2203 |
| xLogP3-AA | 1.80 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1050 5-methyl-2-thiophenecarboxaldehyde |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 13679-70-4 ; 5-METHYL-2-THIOPHENECARBOXALDEHYDE |
| 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 |
Literature & References
| 5-methyl-2-thiophene-2-carboxaldehyde | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 13679-70-4 |
| Pubchem (cid): | 61663 |
| Pubchem (sid): | 135017475 |
| Flavornet: | 13679-70-4 |
| Publications by US Patents | |
| 3,952,024 - Furfurylthioacetone | |
| Certain 2,5-dimethyl-3-thiopyrazines | |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB32431 |
| FooDB: | FDB009874 |
| YMDB (Yeast Metabolome Database): | YMDB01445 |
| Export Tariff Code: | 2934.99.9090 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 126.1780166626 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 9.655 to 9.689 |
| Refractive Index | 1.581 to 1.584 @ 20 °C |
| Boiling Point | 113 to 114°C @ 25 mm Hg |
| Vapor Pressure | 0.127 mmHg @ 25 °C |
| Flash Point TCC Value | 87.78 °C TCC |
| logP (o/w) | 1.218 est |
| Solubility | |
| alcohol | Yes |
| water, 1600 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| sweet, almond bitter almond, cherry, bready, woody, almond | |
| General comment | At 0.10 % in dipropylene glycol. sweet almond cherry furfural woody acetophenone |
| Mosciano, Gerard P&F 23, No. 2, 43, (1998) | Sweet, almond, cherry, furfural, woody and acetophenone |
| Flavor Type: Fruity | |
| bitter, almond, cherry, sweet, almond bitter almond, fruity, heliotrope, nutty | |
| General comment | Bitter almond, cherry-like |
| Mosciano, Gerard P&F 23, No. 2, 43, (1998) | At 5.00 ppm. Sweet, almond, fruity, heliotropine and nutty |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Almond , Blackberry , Cherry , Hazelnut , Peanut , Vanilla |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes. | |
| 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 | |||
| Recommendation for bread thiophene usage levels up to: | |||
| 0.1000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.73 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.01 (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: 4 | |||
| Click here to view publication 4 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.50000 | |
| beverages(nonalcoholic): | - | 0.50000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | 0.50000 | |
| cheese: | - | - | |
| chewing gum: | - | 0.50000 | |
| condiments / relishes: | - | 0.50000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.50000 | |
| fruit ices: | - | 0.50000 | |
| gelatins / puddings: | - | 0.50000 | |
| granulated sugar: | - | - | |
| gravies: | - | 0.50000 | |
| hard candy: | - | 0.50000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 0.50000 | |
| milk products: | - | 0.50000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 0.50000 | |
| 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 21: Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29. Miscellaneous substances from chemical group 30. (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 76, (FGE.76)[1] - Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29, miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| List of apha, beta-Unsaturated Aldehydes and Ketones representative of FGE.19 substances for Genotoxicity Testing [1] - Statement of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) View page or View pdf |
| Flavouring Group Evaluation 21, Revision 1 (FGE.21Rev1): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 Miscellaneous substances from chemical group 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 224 (FGE.224): Consideration of genotoxic potential for two a,ß-unsaturated thiophenes from subgroup 5.2 of FGE.19 by EFSA View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 76, Revision 1 (FGE.76Rev1): Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 and miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21Rev3 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):13679-70-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61663 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 5-methyl-2-thiophene-2-carboxaldehyde |
| Chemidplus:0013679704 |