3-(methyl thio) hexanol
3-(methylthio)-1-hexanol
Identification
| Name | 3-(methyl thio) hexanol |
| IUPAC | 3-methylsulfanylhexan-1-ol |
| CAS Number | 51755-66-9 |
| EINECS | 257-380-8 |
| FDA UNII | CFU4A74TQT |
| Molecular Formula | C7 H16 O S |
| Molecular Weight | 148.26872000 |
| MDL Number | MFCD00010674 |
| Nikkaji Number | J261.169D |
| CoE Number | 11548 |
Regulatory
| JECFA Food Flavoring | 463 3-(methylthio)-1-hexanol |
| DG SANTE Food Flavourings | 12.063 3-(methylthio)hexan-1-ol |
| FEMA Number | 3438 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 51755-66-9 ; 3-(METHYLTHIO)-1-HEXANOL |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.96400 to 0.97400 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.031 to 8.114 |
| Refractive Index | 1.47400 to 1.48900 @ 20.00 °C. |
| Boiling Point | 140.00 to 145.00 °C. @ 760.00 mm Hg, 61.00 to 62.00 °C. @ 10.00 mm Hg |
| Vapor Pressure | 0.841000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 5.1 ( Air = 1 ) |
| Flash Point | 226.00 °F. TCC ( 107.78 °C. ) |
| logP (o/w) | 1.790 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 0.10 % in propylene glycol. at 1.00 %. green vegetable
|
| Taste Description |
at 0.25 - 10.00 ppm. green fruity
|
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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for 3-(methyl thio) hexanol usage levels up to | 0.0500 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 3.20 (μg/capita/day) |
| Structure Class | I |
| 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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