METHYL ISOBUTYRATE

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 Search

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

Molecular Formula	C5H10O2
Molecular Weight	102.1317
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Calyculins and related marine natural products as serine-threonine protein phosphatase PP1 and PP2A inhibitors and total syntheses of calyculin A, B, and C.	2010-01-21	20161975
Reaction rate coefficients of OH radicals and Cl atoms with ethyl propanoate, n-propyl propanoate, methyl 2-methylpropanoate, and ethyl n-butanoate.	2009-10-08	19746921
Joint experimental and theoretical studies of the mechanism for the gas phase elimination kinetics of methyl 2,2-dimethyl-3-hydroxypropionate.	2009-04-16	19309138
Palladium-catalyzed alpha-arylation of esters with chloroarenes.	2008-04-17	18358039
Expression profiling of potato germplasm differentiated in quality traits leads to the identification of candidate flavour and texture genes.	2008	18987392
Dirhodium(II)-catalyzed C-H amination reaction of (S)-3-(tert-butyldimethylsilyloxy)-2-methylpropyl carbamate: a facile preparation of optically active monoprotected 2-amino-2-methyl-1,3-propanediol.	2007-09	17827768
Induction of parturition in dairy cattle and its effects on health and subsequent lactation and reproductive performance.	2006-09	16958626
Laser flash photolysis and CIDNP studies of steric effects on coupling rate constants of imidazolidine nitroxide with carbon-centered radicals, methyl isobutyrate-2-yl and tert-butyl propionate-2-yl.	2006-08-04	16872187
NMR spectroscopy and MALDI-TOF MS characterisation of end-functionalised PVP oligomers prepared with different esters as chain transfer agents.	2006-03-14	16534759
Photochemical reaction of trimethyl acetate on Pt/TiO2(110).	2005-12-06	16316117
Trimethyl acetate on TiO2(110): preparation and anaerobic photolysis.	2005-06-30	16852537
Fourth-order Raman spectroscopy of wide-band gap materials.	2005-05-12	16852009
Enantioselective catalysis in water: Mukaiyama-aldol condensation promoted by copper complexes of bisoxazolines supported on poly(ethylene glycol).	2004-11-21	15534719
Photochemical charge transfer and trapping at the interface between an organic adlayer and an oxide semiconductor.	2003-12-10	14653717
Palladium-catalyzed alpha-arylation of esters and amides under more neutral conditions.	2003-09-17	16220921
Gas-phase reactivity of the O=P(OCH3)2+ phosphonium ion with aliphatic esters in a quadrupole ion trap. Spontaneous elimination of ketenes.	2002-09	12271433
Magnetic anisotropy of the antiferromagnetic ring [Cr8F8Piv16].	2002-01-04	11826863
Crystallization and preliminary X-ray analysis of maltose O-acetyltransferase.	2001-12	11717516
DFT study of the effect of sigma-ligands on the structure of ester enolates in THF, as models of the active center in the anionic polymerization of methyl methacrylate.	2001-05-30	11457320

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:51:13 GMT 2025` Edited by `admin` on `Mon Mar 31 18:51:13 GMT 2025`
Record UNII	EM286QL922
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL ISOBUTYRATE

Systematic Name

English

NSC-126780

Preferred 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

Classification Tree Code System Code

JECFA EVALUATION

METHYL ISOBUTYRATE