Articles:
| US Patents: | 3,952,024 - Furfurylthioacetone |
| US Patents: | Certain 2,5-dimethyl-3-thiopyrazines |
| US Patents: | Flavoring agent |
1-(3-methylthiophen-2-yl)ethanone
Notes:
Flavouring ingredient with a honey-like flavour
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 13679-72-6 3-Methyl-2-acetylthiophene
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| CAS Number: | 13679-72-6 |  3D/inchi
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| ECHA EINECS - REACH Pre-Reg: | 237-179-1 | |
| Nikkaji Web: | J277.986B | |
| MDL: | MFCD00005443 | |
| CoE Number: | 11590 | |
| XlogP3-AA: | 2.00 (est) | |
| Molecular Weight: | 140.20496000 | |
| Formula: | C7 H8 O S | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | Substance not supported by Industry (EFFA, 2009c). 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 |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.13000 to 1.13600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.403 to 9.453 |
| Refractive Index: | 1.55800 to 1.56400 @ 20.00 °C. |
| Boiling Point: | 216.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 98.00 to 99.00 °C. @ 14.00 mm Hg |
| Vapor Pressure: | 0.152000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 198.00 °F. TCC ( 92.22 °C. ) |
| logP (o/w): | 0.683 (est) |
| Soluble in: | |
| alcohol | |
| water, 1510 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| 2-acetyl-5-methyl thiophene | |
Organoleptic Properties:
| Odor Type: phenolic | |
| phenolic wintergreen almond floral cananga | |
| Flavor Type: sweet | |
| sweet honey | |
| Taste Description: | sweet honey-like |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 3-Methyl-2-acetylthiophene |
| Matrix Scientific |
| For experimental / research use only. |
| 2-Acetyl-3-methylthiophene, 98% |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 2-Acetyl-3-methylthiophene |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 2-Acetyl-3-methylthiophene 98% |
Safety Information:
| Preferred SDS: View | |
| 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 2-acetyl-3-methyl thiophene usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.18 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 78 (μg/person/day) | ||
| Threshold of Concern: | 540 (μg/person/day) | ||
| Structure Class: | II | ||
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 0.20000 | 1.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.10000 | 0.50000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.20000 | 1.00000 | |
| Processed fruit (04.1): | 0.20000 | 1.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 0.20000 | 1.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.10000 | 0.50000 | |
| Bakery wares (07.0): | 0.20000 | 1.00000 | |
| Meat and meat products, including poultry and game (08.0): | 0.10000 | 0.50000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.10000 | 0.50000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.10000 | 0.50000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.20000 | 1.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.10000 | 0.50000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.20000 | 1.00000 | |
| Ready-to-eat savouries (15.0): | 0.40000 | 2.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.10000 | 0.50000 | |
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 | |
| 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 | |
| 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 21, Revision 2 (FGE.21Rev2): 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 21, Revision 3 (FGE.21Rev3): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 21, Revision 4 (FGE.21Rev4): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 21, Revision 5 (FGE.21Rev5): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30 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 : | 83653 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 1-(3-methylthiophen-2-yl)ethanone | |
| Chemidplus: | 0013679726 |
References:
| 1-(3-methylthiophen-2-yl)ethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 83653 |
| Pubchem (sid): | 135041226 |
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): | HMDB41502 |
| FooDB: | FDB021474 |
| Export Tariff Code: | 2934.90.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| almond toasted almond | FL | |
| bubble gum | FL | |
| buchu leaf | FL | |
| camphor tree bark | FL/FR | |
| cappuccino | FL | |
| cashew | FL | |
| chestnut blossom | FR | |
| chicory root | FL | |
| coconut | FL | |
| coconut tropical coconut | FR | |
| coffee | FL | |
| cooling | FL | |
| cornmint | FL/FR | |
| fenugreek | FL/FR | |
| filbert | FL | |
| geranium rose | FL/FR | |
| hazelnut | FL | |
| honey | FR | |
| hyssop | FL/FR | |
| macadamia | FL | |
| mace | FL | |
| mint | FL | |
| nut | FL | |
| nut roasted nut | FL | |
| nutmeg | FR | |
| peanut | FL | |
| peanut butter | FL | |
| pecan | FL | |
| peppermint | FL | |
| pina colada | FL | |
| pistachio | FL | |
| praline | FL | |
| sesame | FL | |
| spearmint | FL | |
| walnut | FL | |
| wintergreen | FL | |
| wormwood oil replacer | FR |
Occurrence (nature, food, other): note
| coffee Search PMC Picture |
Synonyms:
| 2- | acetyl-3-methylthiophene |
| ethan-1-one, 1-(3-methyl-2-thienyl)- | |
| ethanone, 1-(3-methyl-2-thienyl)- | |
| 3- | methyl-2-acetylthiophene |
| 1-(3- | methyl-2-thienyl) ethan-1-one |
| 1-(3- | methyl-2-thienyl)-1-ethanone |
| 1-(3- | methyl-2-thienyl)ethan-1-one |
| 1-(3- | methyl-2-thienyl)ethanone |
| 1-(3- | methylthiophen-2-yl)ethan-1-one |
| 1-(3- | methylthiophen-2-yl)ethanone |