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

Details

Stereochemistry ABSOLUTE
Molecular Formula C8H15O2.Na
Molecular Weight 166.1933
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 2-ETHYLHEXANOATE, (S)-

SMILES

[Na+].CCCC[C@H](CC)C([O-])=O

InChI

InChIKey=VYPDUQYOLCLEGS-FJXQXJEOSA-M
InChI=1S/C8H16O2.Na/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1/t7-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SODIUM 2-ETHYLHEXANOATE, (S)-
Common Name English
J458.026E
Preferred Name English
(S)-2-ETHYLHEXANOIC ACID SODIUM SALT
Systematic Name English
SODIUM 2-ETHYLHEXANOATE, (+)-
Systematic Name English
HEXANOIC ACID, 2-ETHYL-, SODIUM SALT (1:1), (2S)-
Systematic Name English
HEXANOIC ACID, 2-ETHYL-, SODIUM SALT, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
5IR5TMQ2MC
Created by admin on Tue Apr 01 16:43:11 GMT 2025 , Edited by admin on Tue Apr 01 16:43:11 GMT 2025
PRIMARY
CAS
139889-57-9
Created by admin on Tue Apr 01 16:43:11 GMT 2025 , Edited by admin on Tue Apr 01 16:43:11 GMT 2025
PRIMARY
PUBCHEM
24884457
Created by admin on Tue Apr 01 16:43:11 GMT 2025 , Edited by admin on Tue Apr 01 16:43:11 GMT 2025
PRIMARY