Product Name

  • Name

    METHYLEUGENOLGLYCOL

  • EINECS
  • CAS No. 26509-45-5
  • Article Data14
  • CAS DataBase
  • Density 1.165g/cm3
  • Solubility
  • Melting Point 63 - 64 °C (diethyl ether)
  • Formula C11H16 O4
  • Boiling Point 381.4°C at 760 mmHg
  • Molecular Weight 212.246
  • Flash Point 184.5°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by intraperitoneal and intravenous routes. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALLYL COMPOUNDS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 26509-45-5 (METHYLEUGENOLGLYCOL)
  • Hazard Symbols
  • Synonyms 3-(3,4-Dimethoxyphenyl)propane-1,2-diol
  • PSA 58.92000
  • LogP 0.59950

Methyl eugenol glycol Chemical Properties

Molecule structure of Methyl eugenol glycol (CAS NO.26509-45-5) :

IUPAC Name: 3-(3,4-dimethoxyphenyl)propane-1,2-diol 
Molecular Weight: 212.24234 g/mol
Molecular Formula: C11H16O4 
Density: 1.165 g/cm3 
Boiling Point: 381.4 °C at 760 mmHg 
Flash Point: 184.5 °C
Index of Refraction: 1.536
Molar Refractivity: 56.82 cm3
Molar Volume: 182.1 cm3
Polarizability: 22.52*10-24 cm3
Surface Tension: 43.5 dyne/cm 
Enthalpy of Vaporization: 66.42 kJ/mol
Vapour Pressure: 1.69E-06 mmHg at 25 °C
XLogP3: 0.4
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 5
Exact Mass: 212.104859
MonoIsotopic Mass: 212.104859
Topological Polar Surface Area: 58.9
Heavy Atom Count: 15
Complexity: 174
Canonical SMILES: COC1=C(C=C(C=C1)CC(CO)O)OC
InChI: InChI=1S/C11H16O4/c1-14-10-4-3-8(5-9(13)7-12)6-11(10)15-2/h3-4,6,9,12-13H,5,7H2,1-2H3
InChIKey of Methyl eugenol glycol (CAS NO.26509-45-5) : NZKYZDCTLPYISK-UHFFFAOYSA-N

Methyl eugenol glycol Toxicity Data With Reference

1.    

ipr-mus LD50:2005 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 199 (1972),226.
2.    

ivn-mus LD50:880 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 199 (1972),226.

Methyl eugenol glycol Safety Profile

Moderately toxic by intraperitoneal and intravenous routes. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALLYL COMPOUNDS.

Methyl eugenol glycol Specification

 Methyl eugenol glycol (CAS NO.26509-45-5) is also called 2,3-Propanediol, 1-(3,4-dimethoxyphenyl)- .

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