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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

Approval Year

Unknown
139594
Name Type Language
1,3-butylene glycol 3-caprate
Common Name English
Decanoic acid, 3-hydroxy-1-methylpropyl ester
Systematic Name English
3-Hydroxy-1-methylpropyl decanoate
Systematic Name English
Code System Code Type Description
PUBCHEM
71324429
Created by admin on Sat Dec 16 19:19:19 GMT 2023 , Edited by admin on Sat Dec 16 19:19:19 GMT 2023
PRIMARY
CAS
89457-53-4
Created by admin on Sat Dec 16 19:19:19 GMT 2023 , Edited by admin on Sat Dec 16 19:19:19 GMT 2023
PRIMARY
FDA UNII
UHR324C2YN
Created by admin on Sat Dec 16 19:19:19 GMT 2023 , Edited by admin on Sat Dec 16 19:19:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID30753911
Created by admin on Sat Dec 16 19:19:19 GMT 2023 , Edited by admin on Sat Dec 16 19:19:19 GMT 2023
PRIMARY
NIH
NCATS
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