S-tert-butyl acetothioacetate
acetoacetic acid, 1-thio-, S-tert-butyl ester
Identification
| Name | S-tert-butyl acetothioacetate |
| IUPAC | S-tert-butyl 3-oxobutanethioate |
| CAS Number | 15925-47-0 |
| FDA UNII | Search |
| Molecular Formula | C8 H14 O2 S |
| Molecular Weight | 174.26298000 |
| MDL Number | MFCD00013237 |
| Nikkaji Number | J133.538C |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.99400 @ 25.00 °C. |
| Boiling Point | 281.00 to 282.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 0.004000 mmHg @ 25.00 °C. (est) |
| Flash Point | 185.00 °F. TCC ( 85.30 °C. ) (est) |
| logP (o/w) | 1.672 (est) |
| Soluble in | water, 2.118e+004 mg/L @ 25 °C (est) |
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 | information only not used for fragrances or flavors |
| Recommendation for S-tert-butyl acetothioacetate usage levels up to | not for fragrance use. |
| Recommendation for S-tert-butyl acetothioacetate flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
acetoacetic acid, 1-thio-, S-tert-butyl ester
butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester
S-tert-
butyl 3-oxobutanethioate
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