5-Ethyl-5-methylheptan-1-ol

Base Information

• Chemical Name: 5-Ethyl-5-methylheptan-1-ol
• CAS No.: 85391-45-3
• Molecular Formula: C10H22 O
• Molecular Weight: 158.28108
• European Community (EC) Number: 286-799-9
• DSSTox Substance ID: DTXSID20234567
• Nikkaji Number: J310.350A
• Wikidata: Q83116373
• Mol file: 85391-45-3.mol

Synonyms:5-Ethyl-5-methylheptan-1-ol;85391-45-3;EINECS 286-799-9;5,5-DIETHYL-1-HEXANOL;5-Ethyl-5-methyl-1-heptanol;DTXSID20234567;AKOS006286825

Chemical Property of 5-Ethyl-5-methylheptan-1-ol

Chemical Property:

• Vapor Pressure: 0.0764mmHg at 25°C
• Boiling Point: 201.3°C at 760 mmHg
• PKA: 15.20±0.10(Predicted)
• Flash Point: 81.1°C
• PSA: 20.23000
• Density: 0.828g/cm³
• LogP: 2.97530
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 158.167065321
• Heavy Atom Count: 11
• Complexity: 84.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(CC)CCCCO