U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C28H54O4
Molecular Weight 454.726
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

CCCCCCCCCCCC(=O)OCCC(C)OC(=O)CCCCCCCCCCC

InChI

InChIKey=DHZMIEOWWJIMFB-UHFFFAOYSA-N
InChI=1S/C28H54O4/c1-4-6-8-10-12-14-16-18-20-22-27(29)31-25-24-26(3)32-28(30)23-21-19-17-15-13-11-9-7-5-2/h26H,4-25H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C28H54O4
Molecular Weight 454.726
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 Sat Dec 16 19:17:35 GMT 2023
Edited
by admin
on Sat Dec 16 19:17:35 GMT 2023
Record UNII
T4KMY8HKT3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-butylene glycol dilaurate
Common Name English
Dodecanoic acid, 1-methyl-1,3-propanediyl ester
Common Name English
Lauric acid, diester with 1,3-butanediol
Common Name English
Lauric acid, 1-methyltrimethylene ester
Common Name English
Code System Code Type Description
PUBCHEM
129730325
Created by admin on Sat Dec 16 19:17:35 GMT 2023 , Edited by admin on Sat Dec 16 19:17:35 GMT 2023
PRIMARY
FDA UNII
T4KMY8HKT3
Created by admin on Sat Dec 16 19:17:35 GMT 2023 , Edited by admin on Sat Dec 16 19:17:35 GMT 2023
PRIMARY
CAS
4196-73-0
Created by admin on Sat Dec 16 19:17:35 GMT 2023 , Edited by admin on Sat Dec 16 19:17:35 GMT 2023
PRIMARY