Trimethylolpropane trioctanoate
2,2-bis(octanoyloxymethyl)butyl octanoate
CAS: 4826-87-3
| Molecular Formula | C30H56O6 |
|---|---|
| Molecular Weight | 512.8 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 78.9 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 28 |
| Exact Mass | 512.4077 |
| Heavy Atoms | 36 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 4826-87-3 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC |
| InChIKey | HFWHTGSLDKKCMD-UHFFFAOYSA-N |
📖 Product Overview
Trimethylolpropane trioctanoate (CAS: 4826-87-3) is a chemical compound with molecular formula C30H56O6 and molecular weight 512.8 g/mol. Its IUPAC systematic name is 2,2-bis(octanoyloxymethyl)butyl octanoate.
HFWHTGSLDKKCMD-UHFFFAOYSA-N.
SMILES: CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Frequently Asked Questions
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What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
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📚 Academic Support
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