Product Name

  • Name

    2-Oxo-6-methyl-2H-1-benzopyran-3-carboxylic acid

  • EINECS
  • CAS No. 10242-13-4
  • Article Data27
  • CAS DataBase
  • Density 1.421g/cm3
  • Solubility
  • Melting Point
  • Formula C11H8 O4
  • Boiling Point 395.7°Cat760mmHg
  • Molecular Weight 204.182
  • Flash Point 161.4°C
  • Transport Information
  • Appearance
  • Safety A poison by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
  • Risk Codes
  • Molecular Structure Molecular Structure of 10242-13-4 (2-Oxo-6-methyl-2H-1-benzopyran-3-carboxylic acid)
  • Hazard Symbols
  • Synonyms 3-Carboxy-6-methylcoumarin
  • PSA 67.51000
  • LogP 1.79960

6-Methyl-2-oxo-2H-1-benzopyran-3-carboxylic acid Chemical Properties

IUPAC Name: 6-methyl-2-oxochromene-3-carboxylic acid 
Empirical Formula: C11H8O4
Molecular Weight: 204.1788g/mol
Structure of 6-Methyl-2-oxo-2H-1-benzopyran-3-carboxylic acid (CAS NO.10242-13-4):

Index of Refraction: 1.623
Molar Refractivity: 50.69 cm3
Molar Volume: 143.6 cm3
Polarizability: 20.09×10-24cm3
Surface Tension: 61.6 dyne/cm
Density: 1.421 g/cm3
Flash Point: 161.4 °C
Enthalpy of Vaporization: 68.12 kJ/mol
Boiling Point: 395.7 °C at 760 mmHg
Vapour Pressure: 5.67E-07 mmHg at 25°C 
Classification Code:Agricultural Chemical, Experimental pesticide, Unspecified / Unclassified pesticide 
Canonical SMILES: CC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)O
InChI: InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)5-8(10(12)13)11(14)15-9/h2-5H,1H3,(H,12,13)
InChIKey: FJICLQQBBFWGMZ-UHFFFAOYSA-N

6-Methyl-2-oxo-2H-1-benzopyran-3-carboxylic acid Toxicity Data With Reference

1.    

orl-rat LDLo:75 mg/kg

    NCNSA6    National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),30.

6-Methyl-2-oxo-2H-1-benzopyran-3-carboxylic acid Safety Profile

A poison by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.

6-Methyl-2-oxo-2H-1-benzopyran-3-carboxylic acid Specification

 6-Methyl-2-oxo-2H-1-benzopyran-3-carboxylic acid , its cas register number is 10242-13-4. It also can be called 5-18-08-00343 (Beilstein Handbook Reference) ; BRN 0172386 .

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