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Details

Stereochemistry ACHIRAL
Molecular Formula C20H40O2
Molecular Weight 312.5304
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETYL BUTYRATE

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCC

InChI

InChIKey=NJVKAQGGBANCKG-UHFFFAOYSA-N
InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20(21)18-4-2/h3-19H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H40O2
Molecular Weight 312.5304
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 Tue Apr 01 18:19:14 GMT 2025
Edited
by admin
on Tue Apr 01 18:19:14 GMT 2025
Record UNII
K61DJ5AI3N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CETYL BUTYRATE
Systematic Name English
BUTANOIC ACID, HEXADECYL ESTER
Preferred Name English
HEXADECYL BUTYRATE
Systematic Name English
N-HEXADECYL BUTYRATE
Systematic Name English
HEXADECYL BUTANOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
522033
Created by admin on Tue Apr 01 18:19:14 GMT 2025 , Edited by admin on Tue Apr 01 18:19:14 GMT 2025
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FDA UNII
K61DJ5AI3N
Created by admin on Tue Apr 01 18:19:14 GMT 2025 , Edited by admin on Tue Apr 01 18:19:14 GMT 2025
PRIMARY
CAS
6221-99-4
Created by admin on Tue Apr 01 18:19:14 GMT 2025 , Edited by admin on Tue Apr 01 18:19:14 GMT 2025
PRIMARY
EPA CompTox
DTXSID10334828
Created by admin on Tue Apr 01 18:19:14 GMT 2025 , Edited by admin on Tue Apr 01 18:19:14 GMT 2025
PRIMARY