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2-Methoxyphenethyl alcohol

  • Name 2-Methoxyphenethyl alcohol
  • EINECS231-029-9
  • CAS No. 7417-18-7
  • Density1.058 g/cm3
  • PSA29.46000
  • LogP1.23000
  • SolubilityN/A
  • Melting Point37 °C
  • FormulaC9H12O2
  • Boiling Point261.8 °C at 760 mmHg
  • Molecular Weight152.193
  • Flash Point100.7 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety24/25
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 7417-18-7 (1-(2-METHOXYPHENYL)ETHANOL)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data30

2-Methoxyphenethyl alcohol Specification

The 2-Methoxyphenethyl alcohol with the CAS number 7417-18-7 is also called Benzeneethanol,2-methoxy-. Both the systematic name and IUPAC name are 2-(2-methoxyphenyl)ethanol. Its molecular formula is C9H12O2. The EINECS registry number is 231-029-9. This chemcial belongs to the following product categories: (1)Benzhydrols, Benzyl & Special Alcohols; (2)Alcohols; (3)C9 to C30; (4)Oxygen Compounds.

The properties of the 2-Methoxyphenethyl alcohol are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.27; (5)ACD/BCF (pH 5.5): 5.48; (6)ACD/BCF (pH 7.4): 5.48; (7)ACD/KOC (pH 5.5): 117.56; (8)ACD/KOC (pH 7.4): 117.56; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 44.01 cm3; (15)Molar Volume: 143.7 cm3; (16)Polarizability: 17.44×10-24cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Enthalpy of Vaporization: 52.77 kJ/mol; (19)Vapour Pressure: 0.00574 mmHg at 25°C.

Preparation: This chemical can be prepared by (2-methoxy-phenyl)-acetic acid. This reaction needs reagent LiAlH4.

Uses: This chemical can prepare 2-(2-chloro-ethyl)-anisole. This reaction needs reagent pyridine and SOCl2 at temperature of 80-100 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1CCO)C
(2)InChI: InChI=1/C9H12O2/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5,10H,6-7H2,1H3
(3)InChIKey: XLDRDNQLEMMNNH-UHFFFAOYAX

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