(±)-3-((2-methyl-3-furyl)thio)-2-butanone
(+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone
Identification
| Name | (±)-3-((2-methyl-3-furyl)thio)-2-butanone |
| IUPAC | 3-[(2-methylfuran-3-yl)sulfanyl]butan-2-one |
| CAS Number | 61295-44-1 |
| FDA UNII | 9R89X7164W |
| Molecular Formula | C9 H12 O2 S |
| Molecular Weight | 184.25804000 |
Regulatory
| 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 |
| 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, 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 |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in dipropylene glycol. |
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| 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 |
| 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 |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 0.00100 |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | 0.00100 |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 10.00000 |
| snack foods | 0.00100 |
| soft candy | - |
| soups | 0.00300 |
| sugar substitutes | - |
| sweet sauces | - |
| 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 (05.3) | - |
| 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) | - |
Chemical sources Association Inc
Exchange of knowledge
Need This Item for Flavor? You can contact the Chemical Sources Association.
Endeavour Specialty Chemicals Ltd
Expertise in high impact aroma chemicals
Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale.
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Robinson Brothers Limited
Providing Excellence in Chemistry
Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals.
R C Treatt and Co Ltd
Innovative ingredient solutions
World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.
Potential Uses
Natural Occurrence
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
Info:
substances containing furan substitution