ortho-thiocresol
o-toluenethiol
Identification
| Name | ortho-thiocresol |
| IUPAC | 2-methylbenzenethiol |
| CAS Number | 137-06-4 |
| EINECS | 205-276-8 |
| FDA UNII | 6FU2EGI4VS |
| Molecular Formula | C7 H8 S |
| Molecular Weight | 124.20576000 |
| MDL Number | MFCD00004838 |
| Nikkaji Number | J5.627H |
| Beilstein | 0774068 |
| CoE Number | 2272 |
| XlogP3 | 2.90 (est) |
Regulatory
| JECFA Food Flavoring | 528 o-toluenethiol |
| DG SANTE Food Flavourings | 12.027 2-methyl benzene-1-thiol |
| FEMA Number | 3240 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 137-06-4 ; O-TOLUENETHIOL |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.05500 to 1.06000 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.789 to 8.831 |
| Refractive Index | 1.57900 to 1.58200 @ 20.00 °C. |
| Melting Point | 10.00 to 13.00 °C. @ 760.00 mm Hg |
| Boiling Point | 194.00 to 196.00 °C. @ 760.00 mm Hg, 105.00 °C. @ 22.00 mm Hg |
| Vapor Pressure | 0.601000 mmHg @ 25.00 °C. (est) |
| Flash Point | 147.00 °F. TCC ( 63.89 °C. ) |
| logP (o/w) | 2.870 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 0.10 % in propylene glycol. Meaty,sulfuraceous, onion, garlic, egg, chemical, rubber, naphthyl and musty A roast meat top-note on dilution
|
| Taste Description |
meat broth at 4.00 ppm. meaty
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | intraperitoneal-mouse LD50 100 mg/kg |
| 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 ortho-thiocresol usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 17.00 (μg/capita/day) |
| NOEL (No Observed Effect Level) | 0.51 (mg/kg bw per 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 | - |
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