Articles:
| Info: | substances containing furan substitution |
(+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone
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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Endeavour Specialty Chemicals Ltd Expertise in high impact aroma chemicals Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale. Speciality Chemical has more than 25 years experience of manufacturing high-impact aroma chemicals. With our core expertise in sulfur and heterocyclic chemistries, Endeavours products have applications in a range of industry sectors including flavours and fragrances, pharmaceutical research and material sciences. Endeavour also offer custom synthesis and contract manufacturing services at their UK manufacturing site. Email: Info Email: Sales Voice: +44 (0)1327 310 079 Fax: +44 (0)1327 310 701 Twitter Linkedin News Speciality Chemical Product Groups Product(s): AT0460 3-(2-Methyl-3-furylthio)butan-2-one
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 13-47345 3-(2-METHYL-3-FURYLTHIO)-2-BUTANONE
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Robinson Brothers Limited Providing Excellence in Chemistry Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Based in the UK, Robinson Brothers is an award-winning chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Robinson Brothers serve many industry sectors across the globe, include: flavour/fragrance, pharmaceutical, agrochemical and material sciences. Our team of Chemists are experts in custom synthesis, contract manufacture and process optimisation. Email: Info Email: Sales Voice: +44 (0)121 553 2451 Fax: +44 (0)121 500 5183 Twitter Linkedin News And Exhibitions Custom Synthesis Industries And Applications https://www.robinsonbrothers.uk/chemistry-competences Products List: View Product(s): AT0460 3-(2-Methyl-3-furylthio)butan-2-one
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R C Treatt and Co Ltd Innovative ingredient solutions World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries. We offer innovative and trend-setting product concepts for our customers, collaborating with them to create true value for their products. Email: Enquiries US Email: Enquiries Voice: +44 (0) 1284 702500 Fax: +44 (0) 1284 703809 US Voice: +1 863 668 9500 US Fax: +1 863 668 3388 Twitter Linkedin Youtube News Product(s): 3-(2-Methyl-3-furylthio)butan-2-one
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| CAS Number: | 61295-44-1 |  3D/inchi
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| FDA UNII: | 9R89X7164W | |
| XlogP3-AA: | 2.10 (est) | |
| Molecular Weight: | 184.25804000 | |
| Formula: | C9 H12 O2 S | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| EFSA/JECFA Comments: | CASrn in Register is not valid; CASrn to be changed to: 61295-44-1 (The Good Scents Company, 2011). Reister name to be changed to 3-((2-Methyl-3-furyl)thio)-2-butanone. Racemate. | |
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: | 1525 3-[(2-methyl-3-furyl)thio]-2-butanone |
| DG SANTE Food Flavourings: | 13.190 3-((2-methyl-3-furyl)thio)-2-butanone |
| FEMA Number: | 4056 (+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 61295-44-1 ; (+/-)-3-[(2-METHYL-3-FURYL)THIO]-2-BUTANONE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 99.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.10400 to 1.11000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.186 to 9.236 |
| Refractive Index: | 1.51000 to 1.51600 @ 20.00 °C. |
| Boiling Point: | 70.00 °C. @ 0.75 mm Hg |
| Boiling Point: | 239.00 to 240.00 °C. @ 760.00 mm Hg (est) |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.040000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 209.00 °F. TCC ( 98.60 °C. ) (est) |
| logP (o/w): | 2.004 (est) |
| Soluble in: | |
| alcohol | |
| triacetin | |
| water, very slightly | |
| water, 1352 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: spicy | |
| spicy floral | |
| Odor Description: at 0.10 % in dipropylene glycol. | spicy floral |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
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 (±)-3-((2-methyl-3-furyl)thio)-2-butanone 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): | 0.02 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 200 (μg/person/day) | ||
| Threshold of Concern: | 90 (μg/person/day) | ||
| Structure Class: | III | ||
| 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: 21 | |||
| Click here to view publication 21 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | 0.00400 | 0.04000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 0.00100 | 0.01000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | 0.00100 | 0.01000 | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 10.00000 | 100.00000 | |
| snack foods: | 0.00100 | 0.01000 | |
| soft candy: | - | - | |
| soups: | 0.00300 | 0.03000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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): | - | - | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - | |
| Edible ices, including sherbet and sorbet (03.0): | - | - | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | - | - | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | - | - | |
| Bakery wares (07.0): | 0.00100 | - | |
| Meat and meat products, including poultry and game (08.0): | 0.00100 | - | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | - | - | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 10.00000 | - | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | - | - | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | - | - | |
| Ready-to-eat savouries (15.0): | 0.00100 | - | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | - | - | |
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 67 (FGE.67): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 67, Revision 1 (FGE.67Rev.1): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 67 Revision 2 (FGE.67Rev2): Consideration of 28 furan-substituted compounds evaluated by JECFA at the 55th, 65th and 69th meetings (JECFA, 2001, 2006a, 2009b) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 67, Revision 3 (FGE.67Rev3): consideration of 23 furan-substituted compounds evaluated by JECFA at the 55th, 65th, 69th and 86th meetings 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 : | 12980878 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 3-[(2-methylfuran-3-yl)sulfanyl]butan-2-one | |
| Chemidplus: | 0061295441 |
References:
| 3-[(2-methylfuran-3-yl)sulfanyl]butan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 12980878 |
| Pubchem (sid): | 135343241 |
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): | HMDB32401 |
| FooDB: | FDB009835 |
| ChemSpider: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
Potential Blenders and core components note
Potential Uses:
| floral | FR | |
| spice | FL |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 2- | butanone, 3-[(2-methyl-3-furanyl)thio]- |
| 3-((2- | methyl-3-furanyl)sulfanyl)-2-butanone |
| 3-[(2- | methyl-3-furanyl)sulfanyl]-2-butanone |
| 3-(2- | methyl-3-furyl thio)-2-butanone |
| 3-[(2- | methyl-3-furyl)sulfanyl]-2-butanone |
| 3-[(2- | methyl-3-furyl)sulfanyl]butan-2-one |
| 3-((2- | methyl-3-furyl)thio)-2-butanone |
| (+/-)-3-[(2- | methyl-3-furyl)thio]-2-butanone |
| (±)-3-[(2- | methyl-3-furyl)thio]-2-butanone |
| 3-[(2- | methyl-3-furyl)thio]-2-butanone |
| 3-(2- | methyl-3-furylthio)-2-butanone |
| 2- | methyl-3-furylthio)butan-2-one |
| 3-(2- | methyl-3-furylthio)butan-2-one |
| 3-[(2- | methylfuran-3-yl)sulfanyl]butan-2-one |