S-methyl benzothioate
S-methyl benzenecarbothioate
Identification
| Name | S-methyl benzothioate |
| IUPAC | S-methyl benzenecarbothioate |
| CAS Number | 5925-68-8 |
| EINECS | 227-656-2 |
| FDA UNII | TV2YT5FVUQ |
| Molecular Formula | C8 H8 O S |
| Molecular Weight | 152.21596000 |
| Nikkaji Number | J100.053E |
| CoE Number | 11505 |
Regulatory
| JECFA Food Flavoring | 504 S-methyl benzothioate |
| DG SANTE Food Flavourings | 12.150 S-methyl benzothioate |
| FEMA Number | 3857 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 5925-68-8 ; S-METHYL BENZOTHIOATE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.81700 to 0.84700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.798 to 7.048 |
| Refractive Index | 1.57400 to 1.58000 @ 20.00 °C. |
| Boiling Point | 121.00 to 122.00 °C. @ 22.00 mm Hg |
| Vapor Pressure | 0.137000 mmHg @ 25.00 °C. (est) |
| Flash Point | 181.00 °F. TCC ( 82.78 °C. ) |
| logP (o/w) | 3.194 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
Safety Information
| Preferred SDS | View |
| 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 S-methyl benzothioate usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| Structure Class | II |
| baked goods | 0.10000 |
| beverages(nonalcoholic) | 0.10000 |
| beverages(alcoholic) | - |
| breakfast cereal | 0.10000 |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.10000 |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | 0.10000 |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 0.10000 |
| milk products | 0.10000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 100.00000 |
| snack foods | - |
| soft candy | 0.10000 |
| soups | 0.10000 |
| sugar substitutes | - |
| sweet sauces | 0.10000 |
Alfrebro LLC/ Archer Daniels Midland Company
Let's get reacquainted
Building great taste with aroma chemicals, extracts, and distillates
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...
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Potential Uses
Natural Occurrence
Synonyms
benzenecarbothioic acid, S-methyl ester
benzoic acid, thio-, S-methyl ester
methane thiol benzoate
methanethiolbenzoate
S-
methyl benzenecarbothioate
(S)-
methyl thiobenzoate
S-
methyl thiobenzoate
methylthio benzoate
Try the PubMed Search.