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Details

Stereochemistry RACEMIC
Molecular Formula C13H26O5
Molecular Weight 262.3425
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pentaerythrityl monoethylhexanoate

SMILES

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

InChI

InChIKey=YNCUWXXRGAOWRU-UHFFFAOYSA-N
InChI=1S/C13H26O5/c1-3-5-6-11(4-2)12(17)18-10-13(7-14,8-15)9-16/h11,14-16H,3-10H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Pentaerythritol mono(2-ethylhexanoate)
Preferred Name English
Pentaerythrityl monoethylhexanoate
Common Name English
3-Hydroxy-2,2-bis(hydroxymethyl)propyl 2-ethylhexanoate
Systematic Name English
Hexanoic acid, 2-ethyl-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
UX8U6NA79C
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
65242-50-4
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
PUBCHEM
14274596
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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