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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H20O2
Molecular Weight 172.2646
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Butylhexanoic acid

SMILES

CCCCC(CCCC)C(O)=O

InChI

InChIKey=KQYRYPXQPKPVSP-UHFFFAOYSA-N
InChI=1S/C10H20O2/c1-3-5-7-9(10(11)12)8-6-4-2/h9H,3-8H2,1-2H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C10H20O2
Molecular Weight 172.2646
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:40:20 GMT 2025
Edited
by admin
on Tue Apr 01 19:40:20 GMT 2025
Record UNII
7P7E7U5ZG2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Butylhexanoic acid
Systematic Name English
NSC-843
Preferred Name English
Dibutylacetic acid
Systematic Name English
Hexanoic acid, 2-butyl-
Systematic Name English
2,2-Dibutylacetic acid
Systematic Name English
Di-n-butylacetic acid
Systematic Name English
Code System Code Type Description
FDA UNII
7P7E7U5ZG2
Created by admin on Tue Apr 01 19:40:20 GMT 2025 , Edited by admin on Tue Apr 01 19:40:20 GMT 2025
PRIMARY
CAS
3115-28-4
Created by admin on Tue Apr 01 19:40:20 GMT 2025 , Edited by admin on Tue Apr 01 19:40:20 GMT 2025
PRIMARY
NSC
843
Created by admin on Tue Apr 01 19:40:20 GMT 2025 , Edited by admin on Tue Apr 01 19:40:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID20876163
Created by admin on Tue Apr 01 19:40:20 GMT 2025 , Edited by admin on Tue Apr 01 19:40:20 GMT 2025
PRIMARY
PUBCHEM
18379
Created by admin on Tue Apr 01 19:40:20 GMT 2025 , Edited by admin on Tue Apr 01 19:40:20 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT