2-acetyl-3-methyl thiophene
1-(3-methylthiophen-2-yl)ethanone

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  CODE105652 CODE105652
  Product(s):
  13679-72-6 3-Methyl-2-acetylthiophene

Name: 1-(3-methylthiophen-2-yl)ethanone CAS Number: 13679-72-6 3D/inchi ECHA EINECS - REACH Pre-Reg: 237-179-1 FDA UNII: Search 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, Edge 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 Odor Description: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% sds 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% sds   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 (05.3): - - 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 For Odor anisic ortho- acetanisole FL/FR estragole FL/FR balsamic sumatra benzoin absolute FL/FR camphoreous dextro- camphor FL/FR chocolate vanillyl ethyl ether FL/FR coumarinic phthalide FL/FR creamy para- vanillyl alcohol FL/FR floral benzyl alcohol FL/FR para- cresyl acetate FL/FR dimethyl anthranilate FL/FR ortho- methyl acetophenone FL/FR phenyl acetaldehyde diisobutyl acetal FL/FR fruity para- tolualdehyde FL/FR meta- tolualdehyde FL/FR green benzaldehyde dimethyl acetal FL/FR diphenyl oxide FL/FR seaweed absolute (fucus vesiculosus et serratus) FL/FR herbal red thyme oil india FL/FR red thyme oil spain FL/FR thymol FL/FR yerba mate absolute FL/FR honey phenyl pyruvic acid FL/FR minty dihydrocarveol FL/FR piperitenone FL/FR nutty nutty cyclohexenone FL/FR phenolic anisole FL/FR para- cresol FL/FR meta- cresyl acetate FL/FR ortho- cresyl isobutyrate FL/FR 2,3- dimethyl benzofuran FL/FR para-alpha- dimethyl styrene FL/FR ortho- guaiacol FL/FR 2'- hydroxyacetophenone FL/FR methyl benzoate FL/FR 4- methyl-2,6-dimethoxyphenol FL/FR 2-iso propyl phenol FL/FR 2- propyl phenol FL/FR 4- propyl phenol FL/FR 4- vinyl phenol FL/FR 2,3- xylenol FL/FR 2,5- xylenol FL/FR smoky 4- ethyl phenol FL/FR pyroligneous acids FL/FR spicy clove bud absolute FL/FR 4- ethyl guaiacol FL/FR 4- methyl guaiacol FL/FR zingerone FL/FR tobacco methyl benzoxole FL/FR vanilla ortho- dimethyl hydroquinone FL/FR woody guaiacyl acetate FL/FR For Flavor No flavor group found for these chavicol FL ortho- cresyl isobutyrate FL/FR 2,4- dihydroxybenzoic acid FL 2,6- dimethoxy-4-vinyl phenol FL ortho- dimethyl hydroquinone FL/FR 3- methyl crotonic acid FL 4- methyl salicylaldehyde FL piperitenone FL/FR 2- propyl phenol FL/FR 4- propyl phenol FL/FR para- salicylic acid FL seaweed absolute (fucus vesiculosus et serratus) FL/FR anisic anisic ortho- methyl acetophenone FL/FR aromatic anisole FL/FR para- cresyl acetate FL/FR chemical 2,3- dimethyl benzofuran FL/FR coumarinic phthalide FL/FR creamy para- vanillyl alcohol FL/FR fishy 3- penten-2-one FL fruity benzyl alcohol FL/FR dimethyl anthranilate FL/FR meta- tolualdehyde FL/FR green benzaldehyde dimethyl acetal FL/FR dihydrocarveol FL/FR diphenyl oxide FL/FR phenyl acetaldehyde diisobutyl acetal FL/FR herbal red thyme oil india FL/FR red thyme oil spain FL/FR yerba mate absolute FL/FR licorice estragole FL/FR meaty 2,6- dimethyl thiophenol FL ortho- thioguaiacol FL medicinal dextro- camphor FL/FR musty 2- ethoxythiazole FL 2,5- xylenol FL/FR naphthyl 2'- hydroxyacetophenone FL/FR nutty methyl benzoxole FL/FR nutty cyclohexenone FL/FR phenolic para- cresol FL/FR meta- cresyl acetate FL/FR 2- hydroxyisophorone FL methyl benzoate FL/FR 4- methyl-2,6-dimethoxyphenol FL/FR phenyl pyruvic acid FL/FR thymol FL/FR 4- vinyl phenol FL/FR 2,3- xylenol FL/FR powdery ortho- acetanisole FL/FR rummy vanillyl ethyl ether FL/FR smoky 4- ethyl phenol FL/FR pyroligneous acids FL/FR solvent 2-iso propyl phenol FL/FR spicy sumatra benzoin absolute FL/FR clove bud absolute FL/FR para-alpha- dimethyl styrene FL/FR 4- methyl guaiacol FL/FR para- tolualdehyde FL/FR zingerone FL/FR vegetable tyramine FL woody 4- ethyl guaiacol FL/FR ortho- guaiacol FL/FR guaiacyl acetate FL/FR   Potential Uses: FL almond toasted almond FL bubble gum FL buchu leaf FL/FR camphor tree bark FL cappuccino FL cashew FR chestnut blossom FL chicory root FL coconut FR coconut tropical coconut FL coffee FL cooling FL/FR cornmint FL/FR fenugreek FL filbert FL/FR geranium rose FL hazelnut FR honey FL/FR hyssop FL macadamia FL mace FL mint FL nut FL nut roasted nut FR nutmeg FL peanut FL peanut butter FL pecan FL peppermint FL pina colada FL pistachio FL praline FL sesame FL spearmint FL walnut FL wintergreen FR wormwood oil replacer   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   Articles: US Patents:3,952,024 - Furfurylthioacetone US Patents:Certain 2,5-dimethyl-3-thiopyrazines US Patents:Flavoring agent

Notes: Flavouring ingredient with a honey-like flavour