2-Methylbutyl valerate

Base Information

• Chemical Name: 2-Methylbutyl valerate
• CAS No.: 55590-83-5
• Molecular Formula: C10H20 O2
• Molecular Weight: 172.2646
• European Community (EC) Number: 259-716-9
• DSSTox Substance ID: DTXSID50866491
• Nikkaji Number: J125.781A
• Wikidata: Q104998809
• Metabolomics Workbench ID: 160639
• Mol file: 55590-83-5.mol

Synonyms:2-Methylbutyl valerate;2-Methylbutyl pentanoate;Pentanoic acid, 2-methylbutyl ester;55590-83-5;EINECS 259-716-9;AI3-33706;2-Methylbutyl pentanoate #;SCHEMBL4310169;DTXSID50866491;Pentanoic acid 2-methylbutyl ester

Chemical Property of 2-Methylbutyl valerate

Chemical Property:

• Vapor Pressure: 0.413mmHg at 25°C
• Melting Point: -68.47°C (estimate)
• Refractive Index: 1.3900 (estimate)
• Boiling Point: 195.7°C at 760 mmHg
• Flash Point: 71.4°C
• PSA: 26.30000
• Density: 0.872g/cm³
• LogP: 2.76590
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 121

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)OCC(C)CC