3,6-Dimethyl-oct-3-yl butyrate

Base Information

• Chemical Name: 3,6-Dimethyl-oct-3-yl butyrate
• CAS No.: 72845-80-8
• Molecular Formula: C14H28O2
• Molecular Weight: 228.3709
• Wikidata: Q76280165
• Mol file: 72845-80-8.mol

Synonyms:3,6-Dimethyl-oct-3-yl butyrate;1-Ethyl-1,4-dimethylhexyl butyrate;Butanoic acid, 1-ethyl-1,4-dimethylhexyl ester

Chemical Property of 3,6-Dimethyl-oct-3-yl butyrate

Chemical Property:

• Vapor Pressure: 0.0267mmHg at 25°C
• Boiling Point: 246.7°Cat760mmHg
• Flash Point: 106.2°C
• PSA: 26.30000
• Density: 0.866g/cm³
• LogP: 4.32470
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 228.208930132
• Heavy Atom Count: 16
• Complexity: 201

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC(C)(CC)CCC(C)CC
• Isomeric SMILES: CCCC(=O)O[C@](C)(CC)CC[C@H](C)CC