2-methylpentyl (Z)-but-2-enoate

Base Information

• Chemical Name: 2-methylpentyl (Z)-but-2-enoate
• CAS No.: 16491-56-8
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.2487
• NSC Number: 190955
• DSSTox Substance ID: DTXSID90419425
• Mol file: 16491-56-8.mol

Synonyms:NSC190955;16491-56-8;DTXSID90419425;NSC-190955

Chemical Property of 2-methylpentyl (Z)-but-2-enoate

Chemical Property:

• Vapor Pressure: 0.196mmHg at 25°C
• Boiling Point: 210.1°Cat760mmHg
• Flash Point: 88.2°C
• Density: 0.891g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)COC(=O)C=CC
• Isomeric SMILES: CCCC(C)COC(=O)/C=C\C

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