sec-amyl mercaptan
2-pentanethiol
Identification
| Name | sec-amyl mercaptan |
| IUPAC | pentane-2-thiol |
| CAS Number | 2084-19-7 |
| EINECS | 218-224-4 |
| FDA UNII | 529XY6M4QX |
| Molecular Formula | C5 H12 S |
| Molecular Weight | 104.21564000 |
| MDL Number | MFCD00053516 |
| Nikkaji Number | J121.680E |
Regulatory
| JECFA Food Flavoring | 514 2-pentanethiol |
| DG SANTE Food Flavourings | 12.192 pentane-2-thiol |
| FEMA Number | 3792 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 2084-19-7 ; 2-PENTANETHIOL |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.83200 @ 20.00 °C. |
| Refractive Index | 1.44200 to 1.45200 @ 20.00 °C. |
| Melting Point | -169.00 °C. @ 760.00 mm Hg |
| Boiling Point | 112.00 to 114.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 23.239000 mmHg @ 25.00 °C. (est) |
| Flash Point | 80.00 °F. TCC ( 26.67 °C. ) |
| logP (o/w) | 2.814 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | gavage-rat LD50 [sex: M,F] > 5000 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 sec-amyl mercaptan usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 1.50 (μg/capita/day) |
| Structure Class | I |
| baked goods | 0.06000 |
| beverages(nonalcoholic) | 0.02000 |
| beverages(alcoholic) | 0.01000 |
| breakfast cereal | 0.02000 |
| cheese | 0.00100 |
| chewing gum | 0.01000 |
| condiments / relishes | 0.02000 |
| confectionery froastings | 0.02000 |
| egg products | - |
| fats / oils | 0.00500 |
| fish products | - |
| frozen dairy | 0.02000 |
| fruit ices | 0.02000 |
| gelatins / puddings | 0.01000 |
| granulated sugar | - |
| gravies | 0.00500 |
| hard candy | 0.03000 |
| imitation dairy | 0.02000 |
| instant coffee / tea | 0.00500 |
| jams / jellies | 0.00500 |
| meat products | 0.00500 |
| milk products | 0.00100 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | 0.01000 |
| soft candy | 0.05000 |
| soups | 0.00100 |
| sugar substitutes | - |
| sweet sauces | 0.01000 |
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