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Ketone Ester · CAS 1208313-97-6 · C8H16O4. UNII X587FW0372.
| CAS Registry Number | 1208313-97-6 |
|---|---|
| PubChem CID | 44631890 |
| Molecular formula | C8H16O4 |
| IUPAC name | [(3R)-3-hydroxybutyl] (3R)-3-hydroxybutanoate |
| UNII (FDA) | X587FW0372 |
| Molecular Weight | 176.21 |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 176.10485899 |
| Monoisotopic Mass | 176.10485899 |
| Topological Polar Surface Area | 66.8 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Regulatory & Food Contact | For use in bars, gels, and beverages at a use level intended to provide 0.36 g/kg bw/serving. Scientific Procedures FDA has no questions TdeltaS Limited |
|---|
1208313-97-6; (3R)-3-Hydroxybutyl (3R)-3-hydroxybutanoate; (R)-Hydroxybutyl (R)-3-hydroxybutyrate ester; (R)-Hydroxybutyl (R)-3-hydroxybutyrate; D-beta-Hydroxybutyrate ester; X587FW0372; 3'-Hydroxybutyl (3R)-3-hydroxybutanoate, (3'R)-; Butanoic acid, 3-hydroxy-, (3R)-3-hydroxybutyl ester, (3R)-; RefChem:1050241; Ketone Ester; BD-AcAc 2; (R,R)-BD-AcAc 2; [(3R)-3-hydroxybutyl] (3R)-3-hydroxybutanoate; UNII-X587FW0372; MFCD22417094; (r)-3-hydroxybutyl (r)-3-hydroxybutyrate
CAS 1208313-97-6; molecular formula C8H16O4; molecular weight — g/mol.
1208313-97-6, (3R)-3-Hydroxybutyl (3R)-3-hydroxybutanoate, (R)-Hydroxybutyl (R)-3-hydroxybutyrate ester, (R)-Hydroxybutyl (R)-3-hydroxybutyrate, D-beta-Hydroxybutyrate ester, X587FW0372.
Documented regulatory listings: For use in bars, gels, and beverages at a use level intended to provide 0.36 g/kg bw/serving.; Scientific Procedures; FDA has no questions.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.