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Details

Stereochemistry ACHIRAL
Molecular Formula C5H10O2
Molecular Weight 102.1317
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL ISOBUTYRATE

SMILES

COC(=O)C(C)C

InChI

InChIKey=BHIWKHZACMWKOJ-UHFFFAOYSA-N
InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Trimethyl acetate on TiO2(110): preparation and anaerobic photolysis.
2005 Jun 30
Fourth-order Raman spectroscopy of wide-band gap materials.
2005 May 12
Expression profiling of potato germplasm differentiated in quality traits leads to the identification of candidate flavour and texture genes.
2008
Palladium-catalyzed alpha-arylation of esters with chloroarenes.
2008 Apr 17
Joint experimental and theoretical studies of the mechanism for the gas phase elimination kinetics of methyl 2,2-dimethyl-3-hydroxypropionate.
2009 Apr 16
Reaction rate coefficients of OH radicals and Cl atoms with ethyl propanoate, n-propyl propanoate, methyl 2-methylpropanoate, and ethyl n-butanoate.
2009 Oct 8
Calyculins and related marine natural products as serine-threonine protein phosphatase PP1 and PP2A inhibitors and total syntheses of calyculin A, B, and C.
2010 Jan 21
Patents
Name Type Language
METHYL ISOBUTYRATE
FCC   FHFI   MI  
Systematic Name English
FEMA NO. 2694
Code English
METHYL ISOBUTYRATE [FCC]
Common Name English
METHYL ISOBUTYRATE [MI]
Common Name English
METHYL ISOBUTYRATE [FHFI]
Common Name English
METHYL 2-METHYLPROPIONATE
Systematic Name English
PROPANOIC ACID, 2-METHYL-, METHYL ESTER
Common Name English
ISOBUTYRIC ACID, METHYL ESTER
Common Name English
NSC-126780
Code English
Classification Tree Code System Code
JECFA EVALUATION METHYL ISOBUTYRATE
Created by admin on Fri Dec 15 17:44:34 GMT 2023 , Edited by admin on Fri Dec 15 17:44:34 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 17:44:34 GMT 2023 , Edited by admin on Fri Dec 15 17:44:34 GMT 2023
Code System Code Type Description
WIKIPEDIA
Methyl isobutyrate
Created by admin on Fri Dec 15 17:44:34 GMT 2023 , Edited by admin on Fri Dec 15 17:44:34 GMT 2023
PRIMARY
JECFA MONOGRAPH
212
Created by admin on Fri Dec 15 17:44:34 GMT 2023 , Edited by admin on Fri Dec 15 17:44:34 GMT 2023
PRIMARY
EVMPD
SUB90715
Created by admin on Fri Dec 15 17:44:34 GMT 2023 , Edited by admin on Fri Dec 15 17:44:34 GMT 2023
PRIMARY
MERCK INDEX
m7430
Created by admin on Fri Dec 15 17:44:34 GMT 2023 , Edited by admin on Fri Dec 15 17:44:34 GMT 2023
PRIMARY Merck Index
RXCUI
2460732
Created by admin on Fri Dec 15 17:44:34 GMT 2023 , Edited by admin on Fri Dec 15 17:44:34 GMT 2023
PRIMARY
SMS_ID
100000141051
Created by admin on Fri Dec 15 17:44:34 GMT 2023 , Edited by admin on Fri Dec 15 17:44:34 GMT 2023
PRIMARY
ECHA (EC/EINECS)
208-929-5
Created by admin on Fri Dec 15 17:44:34 GMT 2023 , Edited by admin on Fri Dec 15 17:44:34 GMT 2023
PRIMARY
PUBCHEM
11039
Created by admin on Fri Dec 15 17:44:34 GMT 2023 , Edited by admin on Fri Dec 15 17:44:34 GMT 2023
PRIMARY
CAS
547-63-7
Created by admin on Fri Dec 15 17:44:34 GMT 2023 , Edited by admin on Fri Dec 15 17:44:34 GMT 2023
PRIMARY
NSC
126780
Created by admin on Fri Dec 15 17:44:34 GMT 2023 , Edited by admin on Fri Dec 15 17:44:34 GMT 2023
PRIMARY
FDA UNII
EM286QL922
Created by admin on Fri Dec 15 17:44:34 GMT 2023 , Edited by admin on Fri Dec 15 17:44:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID5060275
Created by admin on Fri Dec 15 17:44:34 GMT 2023 , Edited by admin on Fri Dec 15 17:44:34 GMT 2023
PRIMARY