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Details

Stereochemistry RACEMIC
Molecular Formula C16H32O3
Molecular Weight 272.4235
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

CCCCCCCCCCCC(=O)OC(C)CCO

InChI

InChIKey=WIWXIDQYJYCLIO-UHFFFAOYSA-N
InChI=1S/C16H32O3/c1-3-4-5-6-7-8-9-10-11-12-16(18)19-15(2)13-14-17/h15,17H,3-14H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-Hydroxy-1-methylpropyl dodecanoate
Preferred Name English
1,3-butylene glycol 3-laurate
Common Name English
Dodecanoic acid, 3-hydroxy-1-methylpropyl ester
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90753912
Created by admin on Wed Apr 02 15:02:22 GMT 2025 , Edited by admin on Wed Apr 02 15:02:22 GMT 2025
PRIMARY
CAS
89457-54-5
Created by admin on Wed Apr 02 15:02:22 GMT 2025 , Edited by admin on Wed Apr 02 15:02:22 GMT 2025
PRIMARY
FDA UNII
8V5NWF2QEC
Created by admin on Wed Apr 02 15:02:22 GMT 2025 , Edited by admin on Wed Apr 02 15:02:22 GMT 2025
PRIMARY
PUBCHEM
71324430
Created by admin on Wed Apr 02 15:02:22 GMT 2025 , Edited by admin on Wed Apr 02 15:02:22 GMT 2025
PRIMARY
NIH
NCATS
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