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

Details

Stereochemistry RACEMIC
Molecular Formula C9H18O2
Molecular Weight 158.238
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBUTYL 2-METHYLBUTYRATE

SMILES

CCC(C)C(=O)OCC(C)C

InChI

InChIKey=NWZQCEQAPBRMFX-UHFFFAOYSA-N
InChI=1S/C9H18O2/c1-5-8(4)9(10)11-6-7(2)3/h7-8H,5-6H2,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-METHYLPROPYL 2-METHYLBUTYRATE
Preferred Name English
ISOBUTYL 2-METHYLBUTYRATE
Systematic Name English
BUTYRIC ACID, 2-METHYL-, ISOBUTYL ESTER
Systematic Name English
ISOBUTYL 2-METHYLBUTYRATE, (±)-
Systematic Name English
ISOBUTYL 2-METHYLBUTANOATE
Systematic Name English
BUTANOIC ACID, 2-METHYL-, 2-METHYLPROPYL ESTER
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
219-492-5
Created by admin on Mon Mar 31 21:57:00 GMT 2025 , Edited by admin on Mon Mar 31 21:57:00 GMT 2025
PRIMARY
CAS
2445-67-2
Created by admin on Mon Mar 31 21:57:00 GMT 2025 , Edited by admin on Mon Mar 31 21:57:00 GMT 2025
PRIMARY
EPA CompTox
DTXSID20862945
Created by admin on Mon Mar 31 21:57:00 GMT 2025 , Edited by admin on Mon Mar 31 21:57:00 GMT 2025
PRIMARY
PUBCHEM
102820
Created by admin on Mon Mar 31 21:57:00 GMT 2025 , Edited by admin on Mon Mar 31 21:57:00 GMT 2025
PRIMARY
FDA UNII
88RJ33L6G3
Created by admin on Mon Mar 31 21:57:00 GMT 2025 , Edited by admin on Mon Mar 31 21:57:00 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966