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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O5
Molecular Weight 240.2524
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pentaerythritol monobenzoate

SMILES

OCC(CO)(CO)COC(=O)C1=CC=CC=C1

InChI

InChIKey=HVAFSPAKLBEZLL-UHFFFAOYSA-N
InChI=1S/C12H16O5/c13-6-12(7-14,8-15)9-17-11(16)10-4-2-1-3-5-10/h1-5,13-15H,6-9H2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Pentaerythritol monobenzoate
Common Name English
Pentaerythritol benzoic acid monoester
Preferred Name English
[3-Hydroxy-2,2-bis(hydroxymethyl)propyl] benzoate
Systematic Name English
2-Benzoyloxymethyl-2-hydroxymethyl-propane-1,3-diol
Systematic Name English
1,3-Propanediol, 2,2-bis(hydroxymethyl)-, 1-benzoate
Systematic Name English
1,3-Propanediol, 2-[(benzoyloxy)methyl]-2-(hydroxymethyl)-
Systematic Name English
Code System Code Type Description
CAS
51690-79-0
Created by admin on Wed Apr 02 19:45:06 GMT 2025 , Edited by admin on Wed Apr 02 19:45:06 GMT 2025
PRIMARY
CAS
39449-02-0
Created by admin on Wed Apr 02 19:45:06 GMT 2025 , Edited by admin on Wed Apr 02 19:45:06 GMT 2025
GENERIC (FAMILY)
FDA UNII
GU3TJ825CG
Created by admin on Wed Apr 02 19:45:06 GMT 2025 , Edited by admin on Wed Apr 02 19:45:06 GMT 2025
PRIMARY
PUBCHEM
21885195
Created by admin on Wed Apr 02 19:45:06 GMT 2025 , Edited by admin on Wed Apr 02 19:45:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID30619427
Created by admin on Wed Apr 02 19:45:06 GMT 2025 , Edited by admin on Wed Apr 02 19:45:06 GMT 2025
PRIMARY
NIH
NCATS
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