3,6-Dimethyloctanoic acid

Base Information

• Chemical Name: 3,6-Dimethyloctanoic acid
• CAS No.: 4812-29-7
• Molecular Formula: C10H20O2
• Molecular Weight: 172.26
• UNII: C9U22J1UUR
• DSSTox Substance ID: DTXSID50964007
• Nikkaji Number: J1.554.436H
• Wikidata: Q27275365
• Mol file: 4812-29-7.mol

Synonyms:3,6-DIMETHYLOCTANOIC ACID;4812-29-7;3,6-Dimethyl octanoic acid;UNII-C9U22J1UUR;C9U22J1UUR;Octanoic acid, 3,6-dimethyl-;SCHEMBL13741106;DTXSID50964007;AKOS006277453;FT-0692032;Q27275365

Chemical Property of 3,6-Dimethyloctanoic acid

Chemical Property:

• Vapor Pressure: 0.00224mmHg at 25°C
• Melting Point: 63-65 °C
• Refractive Index: 1.44
• Boiling Point: 268.1 °C at 760 mmHg
• PKA: 4.80±0.10(Predicted)
• Flash Point: 123.2 °C
• PSA: 37.30000
• Density: 0.911 g/cm³
• LogP: 2.92350
• XLogP3: 3.5
• 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:

99% ^*data from raw suppliers

3,6-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)CCC(C)CC(=O)O