4-Pentenoic acid, 3-methylbutyl ester

Base Information

• Chemical Name: 4-Pentenoic acid, 3-methylbutyl ester
• CAS No.: 76649-18-8
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.2487
• DSSTox Substance ID: DTXSID2072839
• Nikkaji Number: J453.507C
• Wikidata: Q82001088
• Mol file: 76649-18-8.mol

Synonyms:Isoamyl 4-pentenoate;4-Pentenoic acid, 3-methylbutyl ester;76649-18-8;SCHEMBL1378058;DTXSID2072839;4-PENTENOIC ACID 3-METHYLBUTYL ESTER

Chemical Property of 4-Pentenoic acid, 3-methylbutyl ester

Chemical Property:

• Vapor Pressure: 0.615mmHg at 25°C
• Boiling Point: 187.9°C at 760 mmHg
• Flash Point: 67.8°C
• PSA: 26.30000
• Density: 0.884g/cm³
• LogP: 2.54190
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCOC(=O)CCC=C