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Details

Stereochemistry RACEMIC
Molecular Formula C12H24O3
Molecular Weight 216.3172
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-caprylate

SMILES

CCCCCCCC(=O)OCCC(C)O

InChI

InChIKey=WLHXECFTKMDOJD-UHFFFAOYSA-N
InChI=1S/C12H24O3/c1-3-4-5-6-7-8-12(14)15-10-9-11(2)13/h11,13H,3-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H24O3
Molecular Weight 216.3172
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 19:20:37 GMT 2023
Edited
by admin
on Sat Dec 16 19:20:37 GMT 2023
Record UNII
K9QKH8DX46
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-butylene glycol 1-caprylate
Common Name English
Octanoic acid, 3-hydroxybutyl ester
Systematic Name English
3-Hydroxybutyl octanoate
Systematic Name English
1,3-Butanediol 1-monooctanoate
Systematic Name English
3-Hydroxybutyl caprylate
Systematic Name English
Code System Code Type Description
PUBCHEM
206241
Created by admin on Sat Dec 16 19:20:37 GMT 2023 , Edited by admin on Sat Dec 16 19:20:37 GMT 2023
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FDA UNII
K9QKH8DX46
Created by admin on Sat Dec 16 19:20:37 GMT 2023 , Edited by admin on Sat Dec 16 19:20:37 GMT 2023
PRIMARY
CAS
42459-20-1
Created by admin on Sat Dec 16 19:20:37 GMT 2023 , Edited by admin on Sat Dec 16 19:20:37 GMT 2023
PRIMARY