Isononyl isononanoate

Base Information

• Chemical Name: Isononyl isononanoate
• CAS No.: 42131-25-9
• Molecular Formula: C18H36 O2
• Molecular Weight: 0
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID80962298
• Nikkaji Number: J464.113B
• Metabolomics Workbench ID: 4246
• Mol file: 42131-25-9.mol

Synonyms:Isononyl isononanoate;7-methyloctyl 7-methyloctanoate;WE(8:0(7Me)/8:0(7Me));Isononyl isononate;SCHEMBL5807541;DTXSID80962298;LMFA07010601

Chemical Property of Isononyl isononanoate

Chemical Property:

• PSA: 26.30000
• LogP: 5.74260
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 284.271530387
• Heavy Atom Count: 20
• Complexity: 222

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCCCCOC(=O)CCCCCC(C)C