Product Name

  • Name

    3,4,5-TRIMETHOXYPHENYLMETHYL CARBINOL

  • EINECS
  • CAS No. 36266-40-7
  • Article Data26
  • CAS DataBase
  • Density 1.102 g/cm3
  • Solubility
  • Melting Point
  • Formula C11H16O4
  • Boiling Point 317.6 °C at 760 mmHg
  • Molecular Weight 212.246
  • Flash Point 145.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 36266-40-7 (3,4,5-TRIMETHOXYPHENYLMETHYL CARBINOL)
  • Hazard Symbols
  • Synonyms Benzylalcohol,3,4,5-trimethoxy-a-methyl- (7CI);1-(3,4,5-Trimethoxyphenyl)ethanol;1-(3,4,5-Trimethoxyphenyl)ethyl alcohol;NSC77909;
  • PSA 47.92000
  • LogP 1.76570

Benzenemethanol,3,4,5-trimethoxy-a-methyl- Specification

The Benzenemethanol, 3, 4, 5-trimethoxy-a-methyl-, with the CAS registry number 36266-40-7, is also known as 3, 4, 5-Trimethoxyphenylmethyl carbinol. It belongs to the product category of Benzhydrols, Benzyl & Special Alcohols. This chemical's molecular formula is C11H16O4 and molecular weight is 212.24. What's more, its IUPAC name is 1-(3, 4, 5-Trimethoxyphenyl)ethanol.

Physical properties about Benzenemethanol, 3, 4, 5-trimethoxy-a-methyl- are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 36.92 Å2; (7)Index of Refraction: 1.507; (8)Molar Refractivity: 57.37 cm3; (9)Molar Volume: 192.5 cm3; (10)Polarizability: 22.74×10-24 cm3; (11)Surface Tension: 35.3 dyne/cm; (12)Density: 1.102 g/cm3; (13)Flash Point: 145.9 °C ; (14)Enthalpy of Vaporization: 59.02 kJ/mol; (15)Boiling Point: 317.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000159 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cc(cc(OC)c1OC)C(O)C)C
(2) InChI: InChI=1/C11H16O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-7,12H,1-4H3
(3) InChIKey: IONRJSKJWDOGAY-UHFFFAOYAK

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