Product Name

  • Name

    1-(6,7-Dimethoxy-2-benzofuranyl)ethanone

  • EINECS
  • CAS No. 64466-48-4
  • Article Data3
  • CAS DataBase
  • Density 1.184g/cm3
  • Solubility
  • Melting Point
  • Formula C12H12 O4
  • Boiling Point 325.9°C at 760 mmHg
  • Molecular Weight 220.225
  • Flash Point 150.9°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
  • Risk Codes
  • Molecular Structure Molecular Structure of 64466-48-4 (1-(6,7-Dimethoxy-2-benzofuranyl)ethanone)
  • Hazard Symbols
  • Synonyms 6,7-Dimethoxy-2-benzofuranyl methyl ketone;2-Acetyl-6,7-dimethoxy-benzofuran;KETONE,6,7-DIMETHOXY-2-BENZOFURANYL METHYL;
  • PSA 48.67000
  • LogP 2.65260

Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)- (9CI) Chemical Properties

IUPAC: 1-(6,7-dimethoxy-1-benzofuran-3-yl)ethanone
Molecular Formula: C12H12O4
Molecular Weight: 220.221280 g/mol
Canonical SMILES: O=C(c1c2ccc(OC)c(OC)c2oc1)C
InChI: InChI=1/C12H12O4/c1-7(13)9-6-16-11-8(9)4-5-10(14-2)12(11)15-3/h4-6H,1-3H3  
Mol File: 64466-48-4.mol
XLogP3-AA: 2
H-Bond Donor: 0
H-Bond Acceptor: 4
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 220.073559
MonoIsotopic Mass: 220.073559
Topological Polar Surface Area: 48.7
Heavy Atom Count: 16
Complexity: 266
Classification Code: Drug / Therapeutic Agent
Index of Refraction: 1.556
Molar Refractivity: 59.78 cm3
Molar Volume: 185.8 cm3
Polarizability: 23.69×10-24cm3
Surface Tension: 38.6 dyne/cm
Density: 1.184 g/cm3
Flash Point: 150.9 °C
Enthalpy of Vaporization: 56.8 kJ/mol
Boiling Point: 325.9 °C at 760 mmHg
Vapour Pressure of Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)- (9CI) (CAS NO.64466-48-4): 0.000224 mmHg at 25 °C

Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)- (9CI) Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1200mg/kg (1200mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 383, 1977.

Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)- (9CI) Safety Profile

Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)- (9CI) (CAS NO.64466-48-4) emits acrid smoke and irritating vapors.

Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)- (9CI) Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)- (9CI) Specification

 Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)- (9CI) (CAS NO.64466-48-4) can be called Ketone, 6,7-dimethoxy-2-benzofuranyl methyl ; -(6,7-Dimethoxy-2-benzofuranyl)ethanone ; 5-18-03-00245 (Beilstein Handbook Reference) ; 6,7-Dimethoxy-2-benzofuranyl methyl ketone ; BRN 1248797 .

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