| SKU | Size | Availability | Price | Qty |
|---|---|---|---|---|
| T405416-25g | 25g | 7 | $58.90 | |
| T405416-100g | 100g | 3 | $137.90 |
| Synonyms | trihexyl 2-butanoyloxypropane-1,2,3-tricarboxylate | UNII-M4974DI70C | 1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester | 1,2,3-TRIHEXYL 2-(BUTANOYLOXY)PROPANE-1,2,3-TRICARBOXYLATE | Trihexyl O-butyrylcitrate | BTHC | DTXSID0047535 | Buty |
|---|---|
| Specifications & Purity | ≥92%(GC) |
| Pubchem Sid | 488187817 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187817 |
| IUPAC Name | trihexyl 2-butanoyloxypropane-1,2,3-tricarboxylate |
| INCHI | InChI=1S/C28H50O8/c1-5-9-12-15-19-33-25(30)22-28(36-24(29)18-8-4,27(32)35-21-17-14-11-7-3)23-26(31)34-20-16-13-10-6-2/h5-23H2,1-4H3 |
| InChi Key | GWVUTNGDMGTPFE-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(C(=O)OCCCCCC)OC(=O)CCC |
| Isomeric SMILES | CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(C(=O)OCCCCCC)OC(=O)CCC |
| PubChem CID | 133914 |
| UN Number | 3082 |
| Packing Group | III |
| Molecular Weight | 514.7 |
| Reaxy-Rn | 11415974 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2231900 | Certificate of Analysis | Aug 10, 2022 | T405416 |
| H2231913 | Certificate of Analysis | Aug 10, 2022 | T405416 |
| H2231912 | Certificate of Analysis | Aug 09, 2022 | T405416 |
| E2308152 | Certificate of Analysis | Jul 22, 2022 | T405416 |
| G2230446 | Certificate of Analysis | Jul 22, 2022 | T405416 |
| G2230453 | Certificate of Analysis | Jul 22, 2022 | T405416 |
| Flash Point(°C) | 234 °C |
|---|---|
| Boil Point(°C) | 247 °C |
| Molecular Weight | 514.700 g/mol |
| XLogP3 | 7.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 27 |
| Exact Mass | 514.351 Da |
| Monoisotopic Mass | 514.351 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 589.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| Pictogram(s) | GHS09 |
|---|---|
| Signal | Warning |
| Hazard Statements | H400:Very toxic to aquatic life H410:Very toxic to aquatic life with long lasting effects |
| Precautionary Statements | P273:Avoid release to the environment. P501:Dispose of contents/container to ... P391:Collect spillage. |
| Reaxy-Rn | 11415974 |
| Class | 9 |
