blackberry thiophenone
2-methyltetrahydrothiophen-3-one
Identification
| Name | blackberry thiophenone |
| IUPAC | 2-methylthiolan-3-one |
| CAS Number | 13679-85-1 |
| EINECS | 237-183-3 |
| FDA UNII | TN0FKW9W4K |
| Molecular Formula | C5 H8 O S |
| Molecular Weight | 116.18296000 |
| MDL Number | MFCD00078280 |
| Nikkaji Number | J277.987K |
| CoE Number | 11601 |
Regulatory
| JECFA Food Flavoring | 499 2-methyltetrahydrothiophen-3-one |
| DG SANTE Food Flavourings | 15.023 4,5-dihydro-2-methylthiophen-3(2H)-one |
| FEMA Number | 3512 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 13679-85-1 ; 2-METHYLTETRAHYDROTHIOPHEN-3-ONE |
Physical Properties
| Appearance | colorless to dark yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.12200 to 1.12600 @ 25.00 °C. |
| Pounds per Gallon - (est). | 9.336 to 9.369 |
| Refractive Index | 1.50800 to 1.51200 @ 20.00 °C. |
| Boiling Point | 82.00 °C. @ 28.00 mm Hg, 64.00 to 65.00 °C. @ 11.00 mm Hg |
| Vapor Pressure | 0.917000 mmHg @ 25.00 °C. (est) |
| Flash Point | 160.00 °F. TCC ( 71.11 °C. ) |
| logP (o/w) | 0.758 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in dipropylene glycol. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| 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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for blackberry thiophenone usage levels up to | 0.1000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 12.00 (μg/capita/day) |
| Structure Class | II |
| 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 | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
Beijing Lys Chemicals Co, LTD.
From Grams to Tons
Fine chemical high-tech company which contains R&D, production, and sales.
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 Molecul...
Endeavour Specialty Chemicals Ltd
Expertise in high impact aroma chemicals
Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale.
Jiangyin Healthway International Trade Co., Ltd
Independent Ingredients Supplier
We provide custom synthesis and contract manufacturing from milligrams to metric tonnes.
M&U International LLC
Steady supply & demand
Meeting customers increasing demands at home as well as abroad.
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.
Sigma-Aldrich
Complete Supply Chain
The perfect blend of products and services that bring your creativity to life.
Sunaux International
Buy With Confidence
We have industry leading processes and procedures to ensure nothing but the most reliable product.
Synerzine, Inc.
Innovation. Customization. Aroma Ingredients.
Synerzine is a leading supplier of flavor and fragrance ingredients.
Tianjin Danjun International Trade Co., LTD.
Quality Products
We know the Chinese chemical market well.
R C Treatt and Co Ltd
Innovative ingredient solutions
World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.
Qingdao Free Trade Zone United International Co Ltd
Quality Products
A partner in your supply chain solution.
Vigon International
Passion for Simplicity
Manufacturer and supplier of high quality flavor and fragrance ingredients.
WholeChem, LLC
Connecting Innovators To the Building Blocks Of the Universe
Custom manufacturer and distributor of specialty ingredients. We make global local.