Butanoic acid, 2-methylbutyl ester structure

Butanoic acid, 2-methylbutyl ester

2-methylbutyl butanoate

Also Known As: 2-Methylbutyl butyrate|2-methylbutyl butanoate|Isoamyl butyrate|Methyl-2-Butyl-Butyrate|2-Methylbutylbutyrate|Butanoic acid, 2-methylbutyl ester|2-Methylbutyl Dutyrate|2 - methylbutyl butyrate|2-Methylbutyl butyrate #|Butanoic acid,2-methylbutyl ester|WE(4:0(2Me)/4:0)|Butyric acid (2-methylbutyl) ester|KS-000010KR|AI3-33702|B1370-012184|256-973-9

CAS: 5456-96-2
Molecular Formula C9H18O2
Molecular Weight 158.13068 g/mol
LogP 2.6
Topological Polar Surface Area 26.3 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 6
Exact Mass 158.13068
Monoisotopic Mass 158.13068
Heavy Atoms 11
Complexity 110.0

Chemical Identifiers

CAS Number 5456-96-2
SMILES CCCC(=O)OCC(C)CC
InChIKey MBZKQDXXFMITAC-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (16 patents) Organic Building Blocks (12 patents) Organometallic Reagents (5 patents) Pharmaceutical Intermediates (7 patents) Surfactants & Detergents (1 patents)

Product Overview

Butanoic acid, 2-methylbutyl ester (CAS 5456-96-2), with molecular formula C9H18O2 and molecular weight 158.13068 g/mol. IUPAC: 2-methylbutyl butanoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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