5-(Isopropyl)-4-methylphthalic acid

Base Information

• Chemical Name: 5-(Isopropyl)-4-methylphthalic acid
• CAS No.: 84029-87-8
• Molecular Formula: C12H14 O4
• Molecular Weight: 222.23716
• European Community (EC) Number: 281-758-1
• UNII: TW8FZP4F9S
• DSSTox Substance ID: DTXSID30232918
• Nikkaji Number: J332.990I
• Wikidata: Q83114130
• Mol file: 84029-87-8.mol

Synonyms:5-(Isopropyl)-4-methylphthalic acid;84029-87-8;EINECS 281-758-1;4-Methyl-5-(1-methylethyl)-1,2-benzenedicarboxylic acid;TW8FZP4F9S;DTXSID30232918;1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-

Chemical Property of 5-(Isopropyl)-4-methylphthalic acid

Chemical Property:

• Vapor Pressure: 8.07E-07mmHg at 25°C
• Boiling Point: 391.1°C at 760 mmHg
• Flash Point: 204.5°C
• PSA: 74.60000
• Density: 1.228g/cm³
• LogP: 2.51480
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C(C)C)C(=O)O)C(=O)O