Tropic acid

Base Information

• Chemical Name: Tropic acid
• CAS No.: 552-63-6
• Deprecated CAS: 28845-94-5,529-64-6
• Molecular Formula: C₉H₁₀O₃
• Molecular Weight: 166.177
• Hs Code.: 2918195000
• European Community (EC) Number: 209-020-6,208-465-3
• NSC Number: 20990
• UNII: 9RM4U80765
• DSSTox Substance ID: DTXSID90862179
• Nikkaji Number: J6.688E
• Wikipedia: Tropic_acid
• Wikidata: Q2823318
• Metabolomics Workbench ID: 165730
• Mol file: 552-63-6.mol

Synonyms:alpha-phenyl-beta-hydroxypropionic acid;alpha-phenylhydracrylic acid;tropic acid;tropic acid, (+-)-isomer;tropic acid, (R)-isomer;tropic acid, (S)-isomer;tropic acid, monosodium salt

Chemical Property of Tropic acid

Chemical Property:

• Appearance/Colour: white crystalline solid
• Melting Point: 116-118 °C(lit.)
• Boiling Point: 322.5 °C at 760 mmHg
• PKA: pKa 3.38(H2O t = 25 c = 0.03–0.001) (Uncertain)
• Flash Point: 163.1 °C
• PSA: 57.53000
• Density: 1.262 g/cm³
• LogP: 0.84710
• Storage Temp.: 2-8°C
• Solubility.: methanol: 0.1 g/mL, clear
• Water Solubility.: Soluble in water (20 g/L) at 20°C, ethanol, ether, alcohol, and methanol (0.1 g/ml).
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99.5% ^*data from raw suppliers

Tropic acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CO)C(=O)O
• Uses: Tropic Acid (Ipratropium EP Impurity C) is a benzoic acid derivative and thus carries anti-fungal properties.