(methyl thio) methyl hexanoate
methylthiomethyl hexanoate
Identification
| Name | (methyl thio) methyl hexanoate |
| CAS Number | 74758-91-1 |
| EINECS | 277-988-7 |
| FDA UNII | 2VJ58GF47Z |
| Molecular Formula | C8 H16 O2 S |
| Molecular Weight | 176.27892000 |
| Nikkaji Number | J349.457H |
| CoE Number | 12199 |
Regulatory
| JECFA Food Flavoring | 479 methylthiomethyl hexanoate |
| DG SANTE Food Flavourings | 12.188 methylthiomethyl hexanoate |
| FEMA Number | 3880 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 74758-91-1 ; METHYLTHIOMETHYL HEXANOATE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.89000 to 0.89500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.406 to 7.447 |
| Boiling Point | 223.00 to 224.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.094000 mmHg @ 25.00 °C. (est) |
| Flash Point | 191.00 °F. TCC ( 88.33 °C. ) |
| logP (o/w) | 2.674 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | Use adds a creamy cheesy note to dairy flavors at 0.5ppm. |
| Taste Description | pineapple fruity |
Safety Information
| 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 (methyl thio) methyl hexanoate usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| Structure Class | I |
| baked goods | 1.00000 |
| 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 | 1.00000 |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 1.00000 |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | 0.50000 |
| reconstituted vegetables | - |
| seasonings / flavors | 300.00000 |
| snack foods | - |
| soft candy | - |
| soups | 1.00000 |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
hexanoic acid (methyl thio) methyl ester
hexanoic acid, (methylthio)methyl ester
((
methyl thio)methyl) hexanoate
methyl thiomethyl hexanoate
methyl thiomethyl) hexanoate
methylsulfanyl)methyl hexanoate
methylsulfanylmethyl hexanoate
methylthio)methyl hexanoate
((
methylthio)methyl)hexanoate
methylthio)methylhexanoate
methylthiomethyl hexanoate
methylthiomethyl)hexanoate
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