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Details

Stereochemistry MIXED
Molecular Formula C21H40O6
Molecular Weight 388.5387
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pentaerythrityl diethylhexanoate

SMILES

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

InChI

InChIKey=MVJLHEUPHXCUTJ-UHFFFAOYSA-N
InChI=1S/C21H40O6/c1-5-9-11-17(7-3)19(24)26-15-21(13-22,14-23)16-27-20(25)18(8-4)12-10-6-2/h17-18,22-23H,5-16H2,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Pentaerythrityl diethylhexanoate
Common Name English
Pentaerythritol bis(2-ethylhexanoate)
Preferred Name English
Hexanoic acid, 2-ethyl-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester
Systematic Name English
3-[(2-Ethyl-1-oxohexyl)oxy]-2,2-bis(hydroxymethyl)propyl 2-ethylhexanoate
Systematic Name English
Hexanoic acid, 2-ethyl-, 3-[(2-ethyl-1-oxohexyl)oxy]-2,2-bis(hydroxymethyl)propyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
87438907
Created by admin on Wed Apr 02 20:19:09 GMT 2025 , Edited by admin on Wed Apr 02 20:19:09 GMT 2025
PRIMARY
CAS
65242-51-5
Created by admin on Wed Apr 02 20:19:09 GMT 2025 , Edited by admin on Wed Apr 02 20:19:09 GMT 2025
PRIMARY
FDA UNII
7N7V2R2LJV
Created by admin on Wed Apr 02 20:19:09 GMT 2025 , Edited by admin on Wed Apr 02 20:19:09 GMT 2025
PRIMARY
NIH
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