Pentaerythritol tetracaprylate

[3-octanoyloxy-2,2-bis(octanoyloxymethyl)propyl] octanoate

CAS: 3008-50-2

Molecular Formula	`C37H68O8`
Molecular Weight	640.9 g/mol
LogP	11.9
Topological Polar Surface Area	105.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	36
Exact Mass	640.4914
Heavy Atoms	45
Complexity	625.0

Chemical Identifiers

CAS Number	3008-50-2
SMILES	`CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC`
InChIKey	`CFRNDJFRRKMHTL-UHFFFAOYSA-N`

📖 Product Overview

Pentaerythritol tetracaprylate (CAS: 3008-50-2) is a chemical compound with molecular formula C37H68O8 and molecular weight 640.9 g/mol. Its IUPAC systematic name is [3-octanoyloxy-2,2-bis(octanoyloxymethyl)propyl] octanoate. LogP 11.9 Topological Polar Surface Area 105.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 36 Exact Mass 640.4914 Heavy Atoms 45 Complexity 625.0 InChI Key: CFRNDJFRRKMHTL-UHFFFAOYSA-N. SMILES: CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC.

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