(±)-3-mercapto-1-butyl acetate
3-sulfanylbutyl acetate
Identification
| Name | (±)-3-mercapto-1-butyl acetate |
| IUPAC | 3-sulfanylbutyl acetate |
| CAS Number | 89534-38-3 |
| FDA UNII | 8D8DW6O2XV |
| Molecular Formula | C6 H12 O2 S |
| Molecular Weight | 148.22504000 |
| MDL Number | MFCD08741459 |
Regulatory
| JECFA Food Flavoring | 1705 (+/-)-3-mercapto-1-butyl acetate |
| FEMA Number | 4325 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 89534-38-3 ; (+/-)-3-MERCAPTO-1-BUTYL ACETATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.02500 to 1.02900 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.529 to 8.562 |
| Refractive Index | 1.45800 to 1.45900 @ 20.00 °C. |
| Boiling Point | 77.00 °C. @ 10.00 mm Hg |
| Vapor Pressure | 0.415000 mmHg @ 25.00 °C. (est) |
| Flash Point | 171.00 °F. TCC ( 77.22 °C. ) |
| logP (o/w) | 1.598 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
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 (±)-3-mercapto-1-butyl acetate usage levels up to | not for fragrance use. |
| NOEL (No Observed Effect Level) | 0.7 (mg/kg bw per day) |
| baked goods | 0.50000 |
| beverages(nonalcoholic) | 0.20000 |
| beverages(alcoholic) | 0.20000 |
| breakfast cereal | 0.20000 |
| cheese | 0.50000 |
| chewing gum | 0.20000 |
| condiments / relishes | 0.20000 |
| confectionery froastings | 0.20000 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.10000 |
| fruit ices | 0.10000 |
| gelatins / puddings | 0.20000 |
| granulated sugar | - |
| gravies | - |
| hard candy | 0.50000 |
| imitation dairy | 0.20000 |
| instant coffee / tea | 0.20000 |
| jams / jellies | 0.20000 |
| meat products | - |
| milk products | 0.10000 |
| nut products | 0.20000 |
| other grains | - |
| poultry | - |
| processed fruits | 0.10000 |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 10.00000 |
| snack foods | 0.20000 |
| soft candy | 0.20000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | 0.20000 |
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
Endeavour Specialty Chemicals Ltd
Expertise in high impact aroma chemicals
Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale.
Robinson Brothers Limited
Providing Excellence in Chemistry
Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals.
R C Treatt and Co Ltd
Innovative ingredient solutions
World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.