2,6-Dimethyloctanoic acid

Base Information

• Chemical Name: 2,6-Dimethyloctanoic acid
• CAS No.: 7414-45-1
• Molecular Formula: C10H20O2
• Molecular Weight: 172.26
• Nikkaji Number: J2.368.582E
• Mol file: 7414-45-1.mol

Synonyms:2,6-Dimethyloctanoic acid;2,6-dimethyl octanoic acid;SCHEMBL5739604;PTOMIMQFHPTADA-UHFFFAOYSA-N

Chemical Property of 2,6-Dimethyloctanoic acid

Chemical Property:

• Refractive Index: 1.4175 (estimate)
• Boiling Point: 262.98°C (estimate)
• PKA: 4.82±0.21(Predicted)
• PSA: 37.30000
• Density: 0.9047 (rough estimate)
• LogP: 2.92350
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 132

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

2,4-DIMETHYLOCTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CCCC(C)C(=O)O

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