3-acetyl thioisobutyric acid
3-acetylsulfanyl-2-methylpropanoic acid
Identification
| Name | 3-acetyl thioisobutyric acid |
| CAS Number | 33325-40-5 |
| EINECS | 251-458-5 |
| FDA UNII | R696CMV409 |
| Molecular Formula | C6 H10 O3 S |
| Molecular Weight | 162.20830000 |
| Nikkaji Number | J319.527I |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 276.50 °C. @ 760.00 mm Hg (est) |
| Flash Point | 250.00 °F. TCC ( 121.00 °C. ) (est) |
| logP (o/w) | 0.880 (est) |
| Soluble in | water, 7.763e+004 mg/L @ 25 °C (est) |
No sensory data available
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 | information only not used for fragrances or flavors |
| Recommendation for 3-acetyl thioisobutyric acid usage levels up to | not for fragrance use. |
| Recommendation for 3-acetyl thioisobutyric acid flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
3-(
acetyl thio)-2-methyl propionic acid
3-
acetylsulfanyl-2-methylpropanoic acid
3-(
acetylthio)-2-methylpropanoic acid
(1)-3-(
acetylthio)-2-methylpropionic acid
3-(
acetylthio)-2-methylpropionic acid
3-
acetylthioisobutyric acid
D-beta-
acetylthioisobutyric acid
3-
mercapto-2-methyl propionic acid acetate
3-
mercapto-2-methylpropionic acid, acetate
2-
methyl-3-(acetyl thio) propionic acid
2-
methyl-3-(acetylthio)propionic acid
propanoic acid, 3-(acetylthio)-2-methyl-
PubMed:
Stereoselective esterase from Pseudomonas putida IFO12996 reveals alpha/beta hydrolase folds for D-beta-acetylthioisobutyric acid synthesis.
PubMed:
Enzymatic preparation of D-beta-acetylthioisobutyric acid and cetraxate hydrochloride using a stereo- and/or regioselective hydrolase, 3,4-dihydrocoumarin hydrolase from Acinetobacter calcoaceticus.
PubMed:
Cloning and expression of Pseudomonas putida esterase gene in Escherichia coli and its use in enzymatic production of D-beta-acetylthioisobutyric acid.