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Details

Stereochemistry RACEMIC
Molecular Formula C12H24O3
Molecular Weight 216.3172
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0
Stereo Comments Assumed racemic

SHOW SMILES / InChI
Structure of 1,3-butylene glycol 3-caprylate

SMILES

CCCCCCCC(=O)OC(C)CCO

InChI

InChIKey=GMGFMURPUWKGRE-UHFFFAOYSA-N
InChI=1S/C12H24O3/c1-3-4-5-6-7-8-12(14)15-11(2)9-10-13/h11,13H,3-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H24O3
Molecular Weight 216.3172
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 14:35:32 GMT 2025
Edited
by admin
on Wed Apr 02 14:35:32 GMT 2025
Record UNII
CY3APD74NN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-butylene glycol 3-caprylate
Common Name English
3-Hydroxy-1-methylpropyl octanoate
Preferred Name English
Octanoic acid, 3-hydroxy-1-methylpropyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
CY3APD74NN
Created by admin on Wed Apr 02 14:35:32 GMT 2025 , Edited by admin on Wed Apr 02 14:35:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID60753909
Created by admin on Wed Apr 02 14:35:32 GMT 2025 , Edited by admin on Wed Apr 02 14:35:32 GMT 2025
PRIMARY
PUBCHEM
71324427
Created by admin on Wed Apr 02 14:35:32 GMT 2025 , Edited by admin on Wed Apr 02 14:35:32 GMT 2025
PRIMARY
CAS
89457-50-1
Created by admin on Wed Apr 02 14:35:32 GMT 2025 , Edited by admin on Wed Apr 02 14:35:32 GMT 2025
PRIMARY