2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate

2,2-bis(decanoyloxymethyl)butyl decanoate

CAS: 78-17-1

Molecular Formula	`C36H68O6`
Molecular Weight	596.9 g/mol
LogP	13.1
Topological Polar Surface Area	78.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	34
Exact Mass	596.5016
Heavy Atoms	42
Complexity	563.0

Chemical Identifiers

CAS Number	78-17-1
SMILES	`CCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC`
InChIKey	`QQGBDFMKLXCNHD-UHFFFAOYSA-N`

📖 Product Overview

2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate (CAS: 78-17-1) is a chemical compound with molecular formula C36H68O6 and molecular weight 596.9 g/mol. Its IUPAC systematic name is 2,2-bis(decanoyloxymethyl)butyl decanoate. LogP 13.1 Topological Polar Surface Area 78.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 34 Exact Mass 596.5016 Heavy Atoms 42 Complexity 563.0 InChI Key: QQGBDFMKLXCNHD-UHFFFAOYSA-N. SMILES: CCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC.

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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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