Showing Metabocard for 1,2,3-tributanoylglycerol (BASm0001918)
| Common Name | 1,2,3-tributanoylglycerol |
|---|---|
| Description | Glycerol tributanoate is a flavouring agent |
| Structure | |
| Molecular Formula | C15H26O6 |
| Average Mass | 302.36330 |
| Monoisotopic Mass | 302.17294 |
| IUPAC Name | 1,3-bis(butanoyloxy)propan-2-yl butanoate |
| Traditional Name | Butyrin |
| CAS Registry Number | 1960-01-05 |
| SMILES | CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC |
| InChI Identifier | InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3 |
| InChI Key | UYXTWWCETRIEDR-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:35020 |
| HMDB ID | HMDB0031094 |
| State | Not Available |
| Water Solubility | 3.17e-01 g/l |
| logP | 2.71 |
| logS | -2.98 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | -6.57 |
| Hydrogen Acceptor Count | 3 |
| Hydrogen Donor Count | 0 |
| Polar Surface Area | 78.9 Ų |
| Rotatable Bond Count | 14 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 75.65 m³·mol⁻¹ |
| Polarizability | 33.28 |