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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 1-caprate

SMILES

CCCCCCCCCC(=O)OCCC(C)O

InChI

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

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1,3-butylene glycol 1-caprate
Common Name English
3-Hydroxybutyl decanoate
Systematic Name English
Decanoic acid, 3-hydroxybutyl ester
Systematic Name English
Code System Code Type Description
CAS
89457-36-3
Created by admin on Sat Dec 16 19:32:46 GMT 2023 , Edited by admin on Sat Dec 16 19:32:46 GMT 2023
PRIMARY
PUBCHEM
71324415
Created by admin on Sat Dec 16 19:32:46 GMT 2023 , Edited by admin on Sat Dec 16 19:32:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID10753898
Created by admin on Sat Dec 16 19:32:46 GMT 2023 , Edited by admin on Sat Dec 16 19:32:46 GMT 2023
PRIMARY
FDA UNII
UUN6B72236
Created by admin on Sat Dec 16 19:32:46 GMT 2023 , Edited by admin on Sat Dec 16 19:32:46 GMT 2023
PRIMARY
NIH
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