1. Primary Information
| English name: | Tricaprylin |
| CAS No.: | 538-23-8 |
| Molecular formula: | C27H50O6 |
| Molecular weight: | 470.7 g/mol |
| SMILES: | CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC |
| Structural class: | |
| Other identifiers: |
2-ethylhexanoic acid, 1,2,3-propanetriyl ester glycerol tricaprylate glycerol trioctanoate glyceryl tricaprylate glyceryl trioctanoate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1g | >93%(GC) | 536 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2,3-di(octanoyloxy)propyl octanoate
4.2 InChI
InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
4.3 InChIKey
VLPFTAMPNXLGLX-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
