Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol

Base Information

• Chemical Name: Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol
• CAS No.: 71839-38-8
• Molecular Formula: C15H32O3
• Molecular Weight: 260.4128

Synonyms:Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol

Chemical Property of Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol

Chemical Property:

• Vapor Pressure: 8.45E-06mmHg at 25°C
• Boiling Point: 335.3°C at 760 mmHg
• Flash Point: 156.6°C
• PSA: 49.69000
• Density: 0.934g/cm³
• LogP: 3.33490
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 260.23514488
• Heavy Atom Count: 18
• Complexity: 202

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(O)OCC(C)(C)C(C(C)C)O
• Isomeric SMILES: CCCCCC[C@@H](O)OCC(C)(C)[C@@H](C(C)C)O

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