Dioctyl 2,4,4-trimethyladipate

Base Information

• Chemical Name: Dioctyl 2,4,4-trimethyladipate
• CAS No.: 68425-96-7
• Molecular Formula: C25H48 O4
• Molecular Weight: 412.64622
• European Community (EC) Number: 270-375-5
• DSSTox Substance ID: DTXSID00887378
• Nikkaji Number: J1.559.570A
• Mol file: 68425-96-7.mol

Synonyms:Dioctyl 2,4,4-trimethyladipate;68425-96-7;EINECS 270-375-5;Hexanedioic acid, 2,4,4-trimethyl-, 1,6-dioctyl ester;Hexanedioic acid, 2,4,4-trimethyl-, dioctyl ester;DTXSID00887378;2,4,4-Trimethylhexanedioic acid dioctyl ester

Chemical Property of Dioctyl 2,4,4-trimethyladipate

Chemical Property:

• Vapor Pressure: 7.75E-07mmHg at 25°C
• Boiling Point: 407.1°C at 760 mmHg
• Flash Point: 178.4°C
• PSA: 52.60000
• Density: 0.919g/cm³
• LogP: 7.23630
• XLogP3: 8.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 21
• Exact Mass: 412.35526001
• Heavy Atom Count: 29
• Complexity: 417

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC(=O)CC(C)(C)CC(C)C(=O)OCCCCCCCC