isobutyl mercaptan
2-methyl-1-propanethiol
Identification
| Name | isobutyl mercaptan |
| CAS Number | 513-44-0 |
| EINECS | 208-162-6 |
| FDA UNII | 9H070UFP2X |
| Molecular Formula | C4 H10 S |
| Molecular Weight | 90.18870000 |
| MDL Number | MFCD00004882 |
| Nikkaji Number | J6.281B |
| Beilstein | 1730890 |
| CoE Number | 11536 |
Regulatory
| JECFA Food Flavoring | 512 2-methyl-1-propanethiol |
| DG SANTE Food Flavourings | 12.173 2-methylpropane-1-thiol |
| FEMA Number | 3874 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 513-44-0 ; 2-METHYL-1-PROPANETHIOL |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 92.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.82900 to 0.83600 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.898 to 6.956 |
| Refractive Index | 1.43800 to 1.44100 @ 20.00 °C. |
| Melting Point | -70.00 °C. @ 760.00 mm Hg |
| Boiling Point | 88.50 °C. @ 760.00 mm Hg |
| Vapor Pressure | 74.122002 mmHg @ 25.00 °C. (est) |
| Vapor Density | 3.1 ( Air = 1 ) |
| Flash Point | 15.00 °F. TCC ( -9.44 °C. ) |
| logP (o/w) | 2.305 (est) |
| Soluble in | alcohol |
| 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 7168 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', 'BEHAVIORAL: EXCITEMENT\nPERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE\nLUNGS, THORAX, OR RESPIRATION: CYANOSIS']
Safety in Use
| Category | flavoring agents |
| Recommendation for isobutyl mercaptan usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| Structure Class | I |
| baked goods | 0.10000 |
| beverages(nonalcoholic) | 0.10000 |
| beverages(alcoholic) | - |
| breakfast cereal | 0.10000 |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.10000 |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | 0.10000 |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 0.10000 |
| milk products | 0.10000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 3000.00000 |
| snack foods | - |
| soft candy | 0.10000 |
| soups | 0.10000 |
| sugar substitutes | - |
| sweet sauces | 0.10000 |
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