U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C27H54O5
Molecular Weight 458.7147
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTAERYTHRITOL BEHENATE

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO

InChI

InChIKey=ZKIVRAADAKTRIO-UHFFFAOYSA-N
InChI=1S/C27H54O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(31)32-25-27(22-28,23-29)24-30/h28-30H,2-25H2,1H3

HIDE SMILES / InChI

Molecular Formula C27H54O5
Molecular Weight 458.7147
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:55:50 GMT 2025
Edited
by admin
on Mon Mar 31 18:55:50 GMT 2025
Record UNII
HN66T7Z22J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTAERYTHRITOL BEHENATE
Systematic Name English
DOCOSANOIC ACID,3-HYDROXY-2,2-BIS(HYDROXYMETHYL)PROPYL ESTER
Preferred Name English
PENTAERYTHRITYL MONOBEHENATE
Common Name English
PENTAERYTHRITOL MONOBEHENATE
Systematic Name English
Code System Code Type Description
CAS
135152-87-3
Created by admin on Mon Mar 31 18:55:50 GMT 2025 , Edited by admin on Mon Mar 31 18:55:50 GMT 2025
GENERIC (FAMILY)
FDA UNII
HN66T7Z22J
Created by admin on Mon Mar 31 18:55:50 GMT 2025 , Edited by admin on Mon Mar 31 18:55:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID10886039
Created by admin on Mon Mar 31 18:55:50 GMT 2025 , Edited by admin on Mon Mar 31 18:55:50 GMT 2025
PRIMARY
PUBCHEM
104420
Created by admin on Mon Mar 31 18:55:50 GMT 2025 , Edited by admin on Mon Mar 31 18:55:50 GMT 2025
PRIMARY
CAS
53161-46-9
Created by admin on Mon Mar 31 18:55:50 GMT 2025 , Edited by admin on Mon Mar 31 18:55:50 GMT 2025
PRIMARY
ECHA (EC/EINECS)
258-401-3
Created by admin on Mon Mar 31 18:55:50 GMT 2025 , Edited by admin on Mon Mar 31 18:55:50 GMT 2025
PRIMARY