3-Methylpent-1-yn-3-yl pentanoate

Base Information

• Chemical Name: 3-Methylpent-1-yn-3-yl pentanoate
• CAS No.: 100052-96-8
• Molecular Formula: C11H18 O2
• Molecular Weight: 182.2594
• DSSTox Substance ID: DTXSID20905189
• Nikkaji Number: J96.701G
• Mol file: 100052-96-8.mol

Synonyms:3-methylpent-1-yn-3-yl pentanoate;100052-96-8;BRN 1768942;1-Ethynyl-1-methylpropylvalerate;1-Pentyn-3-ol, 3-methyl-, valerate;Valeric acid, 3-methyl-1-pentyn-3-yl ester;Pentanoic acid, 3-methyl-1-pentyn-3-yl ester;4-02-00-00873 (Beilstein Handbook Reference);DTXSID20905189;LS-161129

Chemical Property of 3-Methylpent-1-yn-3-yl pentanoate

Chemical Property:

• Vapor Pressure: 0.0391mmHg at 25°C
• Boiling Point: 239.9°Cat760mmHg
• Flash Point: 92.3°C
• PSA: 26.30000
• Density: 0.923g/cm³
• LogP: 2.52170
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 182.130679813
• Heavy Atom Count: 13
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)OC(C)(CC)C#C