Butanoic acid, 3-methyl-2-buten-1-yl ester structure

Butanoic acid, 3-methyl-2-buten-1-yl ester

3-methylbut-2-enyl butanoate

Also Known As: Prenyl butyrate|3-methylbut-2-enyl butanoate|3-methyl-2-butenyl butyrate|3-Methyl-2-buten-1-yl butanoate|Butanoic acid, 3-methyl-2-butenyl ester|Butanoic acid, 3-methyl-2-buten-1-yl ester|Butanoicacid3-methyl-2-butenylester|3-METHYLBUT-2-EN-1-YL BUTANOATE|Butanoic acid, 3-methylbut-2-enyl ester|Butanoic acid,3-methyl-2-buten-1-yl ester|BUTANOIC ACID 3-METHYL-2-BUTENYL ESTER|615-538-7

CAS: 7251-49-2
Molecular Formula C9H16O2
Molecular Weight 156.11504 g/mol
LogP 2.4
Topological Polar Surface Area 26.3 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 5
Exact Mass 156.11504
Monoisotopic Mass 156.11504
Heavy Atoms 11
Complexity 144.0

Chemical Identifiers

CAS Number 7251-49-2
SMILES CCCC(=O)OCC=C(C)C
InChIKey SQIPCPAQCPMJFW-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.

Organic Building Blocks (3 patents)

Product Overview

Butanoic acid, 3-methyl-2-buten-1-yl ester (CAS 7251-49-2), with molecular formula C9H16O2 and molecular weight 156.11504 g/mol. IUPAC: 3-methylbut-2-enyl 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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