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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H18O2
Molecular Weight 158.238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isopropyl 2-ethylbutyrate

SMILES

CCC(CC)C(=O)OC(C)C

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
Isopropyl 2-ethylbutyrate
Systematic Name English
Propan-2-yl 2-ethylbutanoate
Systematic Name English
AI3-30213
Code English
NSC-20007
Code English
Butanoic acid, 2-ethyl-, 1-methylethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
78806
Created by admin on Sat Dec 16 12:07:58 GMT 2023 , Edited by admin on Sat Dec 16 12:07:58 GMT 2023
PRIMARY
ECHA (EC/EINECS)
225-871-6
Created by admin on Sat Dec 16 12:07:58 GMT 2023 , Edited by admin on Sat Dec 16 12:07:58 GMT 2023
PRIMARY
CAS
5129-47-5
Created by admin on Sat Dec 16 12:07:58 GMT 2023 , Edited by admin on Sat Dec 16 12:07:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID00199286
Created by admin on Sat Dec 16 12:07:58 GMT 2023 , Edited by admin on Sat Dec 16 12:07:58 GMT 2023
PRIMARY
NSC
20007
Created by admin on Sat Dec 16 12:07:58 GMT 2023 , Edited by admin on Sat Dec 16 12:07:58 GMT 2023
PRIMARY
FDA UNII
VZ4JW576ZU
Created by admin on Sat Dec 16 12:07:58 GMT 2023 , Edited by admin on Sat Dec 16 12:07:58 GMT 2023
PRIMARY