Butyl isobutyrate structure

Butyl isobutyrate

butyl 2-methylpropanoate

CAS: 97-87-0
Molecular Formula C8H16O2
Molecular Weight 144.21 g/mol
LogP 2.4
Topological Polar Surface Area 26.3 A2
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 5
Exact Mass 144.11504
Heavy Atoms 10
Complexity 97.0

Chemical Identifiers

CAS Number 97-87-0
SMILES CCCCOC(=O)C(C)C
InChIKey JSLCOZYBKYHZNL-UHFFFAOYSA-N

📖 Product Overview

Butyl isobutyrate (CAS: 97-87-0) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.21 g/mol. Its IUPAC systematic name is butyl 2-methylpropanoate. LogP 2.4 Topological Polar Surface Area 26.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 5 Exact Mass 144.11504 Heavy Atoms 10 Complexity 97.0 InChI Key: JSLCOZYBKYHZNL-UHFFFAOYSA-N. SMILES: CCCCOC(=O)C(C)C.

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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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