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Details

Stereochemistry MIXED
Molecular Formula C29H54O7
Molecular Weight 514.7349
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pentaerythrityl triethylhexanoate

SMILES

CCCCC(CC)C(=O)OCC(CO)(COC(=O)C(CC)CCCC)COC(=O)C(CC)CCCC

InChI

InChIKey=GYHOQTHWSFPKBL-UHFFFAOYSA-N
InChI=1S/C29H54O7/c1-7-13-16-23(10-4)26(31)34-20-29(19-30,21-35-27(32)24(11-5)17-14-8-2)22-36-28(33)25(12-6)18-15-9-3/h23-25,30H,7-22H2,1-6H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Pentaerythrityl triethylhexanoate
Common Name English
Pentaerythritol tris(2-ethylhexanoate)
Preferred Name English
Hexanoic acid, 2-ethyl-, 2-[[(2-ethyl-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)-1,3-propanediyl ester
Systematic Name English
1,1?-[2-[[(2-Ethyl-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)-1,3-propanediyl] bis(2-ethylhexanoate)
Systematic Name English
Hexanoic acid, 2-ethyl-, 1,1?-[2-[[(2-ethyl-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)-1,3-propanediyl] ester
Systematic Name English
Code System Code Type Description
PUBCHEM
168890750
Created by admin on Wed Apr 02 20:32:46 GMT 2025 , Edited by admin on Wed Apr 02 20:32:46 GMT 2025
PRIMARY
CAS
60550-74-5
Created by admin on Wed Apr 02 20:32:46 GMT 2025 , Edited by admin on Wed Apr 02 20:32:46 GMT 2025
PRIMARY
FDA UNII
MHW3B2JN6R
Created by admin on Wed Apr 02 20:32:46 GMT 2025 , Edited by admin on Wed Apr 02 20:32:46 GMT 2025
PRIMARY
NIH
NCATS
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