benzyl methyl sulfide
1-phenyl-2-thiapropane
Identification
| Name | benzyl methyl sulfide |
| IUPAC | methylsulfanylmethylbenzene |
| CAS Number | 766-92-7 |
| EINECS | 212-174-7 |
| FDA UNII | Y3900RBK51 |
| Molecular Formula | C8 H10 S |
| Molecular Weight | 138.23270000 |
| MDL Number | MFCD00008563 |
| Nikkaji Number | J43.487F |
| XlogP3 | 1.90 (est) |
Regulatory
| JECFA Food Flavoring | 460 benzyl methyl sulfide |
| DG SANTE Food Flavourings | 12.077 benzyl methyl sulfide |
| FEMA Number | 3597 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 766-92-7 ; BENZYL METHYL SULFIDE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.01500 to 1.02000 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.446 to 8.487 |
| Refractive Index | 1.56300 to 1.57300 @ 20.00 °C. |
| Melting Point | -30.00 °C. @ 760.00 mm Hg |
| Boiling Point | 196.00 to 198.00 °C. @ 760.00 mm Hg, 87.00 to 88.00 °C. @ 11.00 mm Hg |
| Vapor Pressure | 0.507000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 4.7 ( Air = 1 ) |
| Flash Point | 161.00 °F. TCC ( 71.67 °C. ) |
| logP (o/w) | 2.173 (est) |
| Soluble in | fats |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 0.10 % in propylene glycol. Burnt, Meaty, Roast
|
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 | flavoring agents |
| Recommendation for benzyl methyl sulfide usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.09 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.02 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | ND (μg/person/day) |
| Threshold of Concern | 540 (μg/person/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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