S-methyl hexanethioate
hexanethioic acid, S-methyl ester
Identification
| Name | S-methyl hexanethioate |
| IUPAC | S-methyl hexanethioate |
| CAS Number | 20756-86-9 |
| FDA UNII | MC7G128ACI |
| Molecular Formula | C7 H14 O2 S |
| Molecular Weight | 162.25198000 |
| MDL Number | MFCD03426527 |
| Nikkaji Number | J125.770F |
| CoE Number | 11515 |
Regulatory
| JECFA Food Flavoring | 489 S-methyl hexanethioate |
| DG SANTE Food Flavourings | 12.156 S-methyl hexanethioate |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.82900 to 0.83400 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.898 to 6.940 |
| Refractive Index | 1.47700 to 1.48200 @ 20.00 °C. |
| Boiling Point | 118.00 to 121.00 °C. @ 20.00 mm Hg, 168.00 to 167.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.638000 mmHg @ 25.00 °C. (est) |
| Flash Point | 140.00 °F. TCC ( 60.00 °C. ) |
| logP (o/w) | 2.897 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
No sensory data available
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 hexanethioate usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| Structure Class | I |
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Potential Uses
Natural Occurrence
Synonyms
hexanethioic acid, S-methyl ester
methyl hexane thioate
methyl thio) hexanoate
methyl thiohexanoate
S-
methyl thiohexanoate
methyl thiol hexanoate
methyl-6-mercaptohexanoate
methylthio)hexanoate
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