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Details

Stereochemistry RACEMIC
Molecular Formula C14H28O2
Molecular Weight 228.3709
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5,7,7-Trimethyl-1-octyl propionate

SMILES

CCC(=O)OCCCCC(C)CC(C)(C)C

InChI

InChIKey=AKFFNAUHVIDQFU-UHFFFAOYSA-N
InChI=1S/C14H28O2/c1-6-13(15)16-10-8-7-9-12(2)11-14(3,4)5/h12H,6-11H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C14H28O2
Molecular Weight 228.3709
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:21:07 GMT 2025
Edited
by admin
on Wed Apr 02 21:21:07 GMT 2025
Record UNII
6YLT6WG358
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5,7,7-Trimethyl-1-octyl propionate
Systematic Name English
1-Octanol, 5,7,7-trimethyl-, 1-propanoate
Preferred Name English
5,7,7-Trimethyloctyl propanoate
Systematic Name English
Code System Code Type Description
FDA UNII
6YLT6WG358
Created by admin on Wed Apr 02 21:21:07 GMT 2025 , Edited by admin on Wed Apr 02 21:21:07 GMT 2025
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EPA CompTox
DTXSID001006950
Created by admin on Wed Apr 02 21:21:07 GMT 2025 , Edited by admin on Wed Apr 02 21:21:07 GMT 2025
PRIMARY
PUBCHEM
3021123
Created by admin on Wed Apr 02 21:21:07 GMT 2025 , Edited by admin on Wed Apr 02 21:21:07 GMT 2025
PRIMARY
CAS
86606-44-2
Created by admin on Wed Apr 02 21:21:07 GMT 2025 , Edited by admin on Wed Apr 02 21:21:07 GMT 2025
PRIMARY