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 ISOBUTYL ISOVALERATE

SMILES

CC(C)COC(=O)CC(C)C

InChI

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

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Simultaneous determination of fatty, dicarboxylic and amino acids based on derivatization with isobutyl chloroformate followed by gas chromatography-positive ion chemical ionization mass spectrometry.
2004 Feb 5
Patents
Name Type Language
ISOBUTYL ISOVALERATE
MI  
Systematic Name English
ISOVALERIC ACID, ISOBUTYL ESTER
Common Name English
ISOBUTYL ISOVALERATE [MI]
Common Name English
2-METHYLPROPYL 3-METHYLBUTYRATE [FHFI]
Common Name English
2-METHYLPROPYL 3-METHYLBUTYRATE
FHFI  
Systematic Name English
NSC-6993
Code English
2-METHYL PROPYL 3-METHYL BUTYRATE
FCC  
Common Name English
BUTANOIC ACID, 3-METHYL-, 2-METHYLPROPYL ESTER
Common Name English
FEMA NO. 3369
Code English
2-METHYL PROPYL 3-METHYL BUTYRATE [FCC]
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
209-653-8
Created by admin on Fri Dec 15 18:58:56 GMT 2023 , Edited by admin on Fri Dec 15 18:58:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID5060431
Created by admin on Fri Dec 15 18:58:56 GMT 2023 , Edited by admin on Fri Dec 15 18:58:56 GMT 2023
PRIMARY
JECFA MONOGRAPH
194
Created by admin on Fri Dec 15 18:58:56 GMT 2023 , Edited by admin on Fri Dec 15 18:58:56 GMT 2023
PRIMARY
NSC
6993
Created by admin on Fri Dec 15 18:58:56 GMT 2023 , Edited by admin on Fri Dec 15 18:58:56 GMT 2023
PRIMARY
FDA UNII
6VCJ0UB168
Created by admin on Fri Dec 15 18:58:56 GMT 2023 , Edited by admin on Fri Dec 15 18:58:56 GMT 2023
PRIMARY
MERCK INDEX
m6461
Created by admin on Fri Dec 15 18:58:56 GMT 2023 , Edited by admin on Fri Dec 15 18:58:56 GMT 2023
PRIMARY Merck Index
PUBCHEM
11514
Created by admin on Fri Dec 15 18:58:56 GMT 2023 , Edited by admin on Fri Dec 15 18:58:56 GMT 2023
PRIMARY
CAS
589-59-3
Created by admin on Fri Dec 15 18:58:56 GMT 2023 , Edited by admin on Fri Dec 15 18:58:56 GMT 2023
PRIMARY