2,6-dimethyl thiophenol
2,6-dimethyl(thiophenol)
Identification
| Name | 2,6-dimethyl thiophenol |
| IUPAC | 2,6-dimethylbenzenethiol |
| CAS Number | 118-72-9 |
| EINECS | 204-272-3 |
| FDA UNII | 3A223G78P4 |
| Molecular Formula | C8 H10 S |
| Molecular Weight | 138.23270000 |
| MDL Number | MFCD00010021 |
| Nikkaji Number | J155.603G |
Regulatory
| JECFA Food Flavoring | 530 2,6-dimethyl(thiophenol) |
| DG SANTE Food Flavourings | 12.082 2,6-dimethyl(thiophenol) |
| FEMA Number | 3666 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 118-72-9 ; 2,6-DIMETHYLTHIOPHENOL |
Physical Properties
| Appearance | colorless to yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.04400 @ 20.00 °C. |
| Refractive Index | 1.52700 to 1.52100 @ 20.00 °C. |
| Boiling Point | 122.00 °C. @ 50.00 mm Hg, 218.00 to 219.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.187000 mmHg @ 25.00 °C. (est) |
| Flash Point | 186.00 °F. TCC ( 85.56 °C. ) |
| logP (o/w) | 3.150 |
| Soluble in | fats |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 0.10 % in propylene glycol. Meaty, roasted, phenolic, sulfurous and smokey
|
| Taste Description | Meaty, vegetative and nutty with a slight sulfurous nuance |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 [sex: M,F (5/sex/group)] 3150 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 2,6-dimethyl thiophenol usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 1.30 (μg/capita/day) |
| NOEL (No Observed Effect Level) | 0.43 (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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