Monoisononyl phthalate

Base Information

• Chemical Name: Monoisononyl phthalate
• CAS No.: 106610-61-1
• Molecular Formula: C17H24 O4
• Molecular Weight: 292.37
• European Community (EC) Number: 271-096-1
• DSSTox Substance ID: DTXSID80910057
• Nikkaji Number: J864.309A
• Wikidata: Q27225613
• Metabolomics Workbench ID: 74841
• Mol file: 106610-61-1.mol

Synonyms:monoisononyl phthalate;monoisononylphthalate

Chemical Property of Monoisononyl phthalate

Chemical Property:

• Boiling Point: 421.9±28.0 °C(Predicted)
• PKA: 3.38±0.36(Predicted)
• PSA: 63.60000
• Density: 1.073±0.06 g/cm3(Predicted)
• LogP: 4.14810
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 292.16745924
• Heavy Atom Count: 21
• Complexity: 325

Purity/Quality:

NLT 98% ^*data from raw suppliers

1,2-BenzenedicarboxylicAcid1-(7-Methyloctyl)Ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB
• Canonical SMILES: CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)O