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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 1-laurate

SMILES

CCCCCCCCCCCC(=O)OCCC(C)O

InChI

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

HIDE SMILES / InChI

Molecular Formula C16H32O3
Molecular Weight 272.4235
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 19:29:22 GMT 2023
Edited
by admin
on Sat Dec 16 19:29:22 GMT 2023
Record UNII
3J22ZE92P3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-butylene glycol 1-laurate
Common Name English
3-Hydroxybutyl dodecanoate
Systematic Name English
Dodecanoic acid, 3-hydroxybutyl ester
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70753899
Created by admin on Sat Dec 16 19:29:22 GMT 2023 , Edited by admin on Sat Dec 16 19:29:22 GMT 2023
PRIMARY
PUBCHEM
71324416
Created by admin on Sat Dec 16 19:29:22 GMT 2023 , Edited by admin on Sat Dec 16 19:29:22 GMT 2023
PRIMARY
FDA UNII
3J22ZE92P3
Created by admin on Sat Dec 16 19:29:22 GMT 2023 , Edited by admin on Sat Dec 16 19:29:22 GMT 2023
PRIMARY
CAS
89457-37-4
Created by admin on Sat Dec 16 19:29:22 GMT 2023 , Edited by admin on Sat Dec 16 19:29:22 GMT 2023
PRIMARY