3-Hydroxy-2,2-dimethylhexyl butyrate

Base Information

• Chemical Name: 3-Hydroxy-2,2-dimethylhexyl butyrate
• CAS No.: 85508-25-4
• Molecular Formula: C12H24 O3
• Molecular Weight: 216.31716
• European Community (EC) Number: 287-450-3
• DSSTox Substance ID: DTXSID701006070
• Nikkaji Number: J310.596B
• Mol file: 85508-25-4.mol

Synonyms:3-Hydroxy-2,2-dimethylhexyl butyrate;85508-25-4;EINECS 287-450-3;MILAEHMPRCLZIF-UHFFFAOYSA-N;DTXSID701006070;NS00065044;3-HYDROXY-2,2-DIMETHYLHEXYL BUTANOATE

Chemical Property of 3-Hydroxy-2,2-dimethylhexyl butyrate

Chemical Property:

• Vapor Pressure: 0.000109mmHg at 25°C
• Boiling Point: 300.7°C at 760 mmHg
• Flash Point: 114.9°C
• PSA: 46.53000
• Density: 0.948g/cm³
• LogP: 2.51690
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 216.17254462
• Heavy Atom Count: 15
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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