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Details

Stereochemistry RACEMIC
Molecular Formula C14H28O3
Molecular Weight 244.3703
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-caprate

SMILES

CCCCCCCCCC(=O)OC(C)CCO

InChI

InChIKey=SKZVJVONYLHEGK-UHFFFAOYSA-N
InChI=1S/C14H28O3/c1-3-4-5-6-7-8-9-10-14(16)17-13(2)11-12-15/h13,15H,3-12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C14H28O3
Molecular Weight 244.3703
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 15:03:09 GMT 2025
Edited
by admin
on Wed Apr 02 15:03:09 GMT 2025
Record UNII
UHR324C2YN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-butylene glycol 3-caprate
Common Name English
3-Hydroxy-1-methylpropyl decanoate
Preferred Name English
Decanoic acid, 3-hydroxy-1-methylpropyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
71324429
Created by admin on Wed Apr 02 15:03:10 GMT 2025 , Edited by admin on Wed Apr 02 15:03:10 GMT 2025
PRIMARY
CAS
89457-53-4
Created by admin on Wed Apr 02 15:03:10 GMT 2025 , Edited by admin on Wed Apr 02 15:03:10 GMT 2025
PRIMARY
FDA UNII
UHR324C2YN
Created by admin on Wed Apr 02 15:03:10 GMT 2025 , Edited by admin on Wed Apr 02 15:03:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID30753911
Created by admin on Wed Apr 02 15:03:10 GMT 2025 , Edited by admin on Wed Apr 02 15:03:10 GMT 2025
PRIMARY