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Ethanol, 2-(4-methylphenoxy)-, acetate

  • Name Ethanol, 2-(4-methylphenoxy)-, acetate
  • EINECS229-881-1
  • CAS No. 6807-11-0
  • Density1.063 g/cm3
  • PSA35.53000
  • LogP1.93690
  • SolubilityN/A
  • Melting Point94 °C / 2mmHg
  • FormulaC11H14O3
  • Boiling Point266.9 °C at 760 mmHg
  • Molecular Weight194.23
  • Flash Point106.2 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 6807-11-0 (4-(2-ACETOXYETHOXY)TOLUENE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data2

Ethanol, 2-(4-methylphenoxy)-, acetate Specification

The CAS registry number of Ethanol, 2-(4-methylphenoxy)-, acetate is 6807-11-0. This chemical is also named as 2-(p-Tolyloxy)ethanol cetate. Its EINECS registry number of is 229-881-1. In addition, its molecular formula is C11H14O3 and molecular weight is 194.23. Its systematic name is called 2-(4-methylphenoxy)ethyl acetate.

Physical properties about Ethanol, 2-(4-methylphenoxy)-, acetate are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 22.06; (6)ACD/BCF (pH 7.4): 22.06; (7)ACD/KOC (pH 5.5): 318.71; (8)ACD/KOC (pH 7.4): 318.71; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5 ; (12)Index of Refraction: 1.496; (13)Molar Refractivity: 53.42 cm3; (14)Molar Volume: 182.7 cm3; (15)Surface Tension: 35.3 dyne/cm; (16)Density: 1.063 g/cm3; (17)Flash Point: 106.2 °C; (18)Enthalpy of Vaporization: 50.49 kJ/mol; (19)Boiling Point: 266.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00842 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCOc1ccc(cc1)C)C
(2)InChI: InChI=1/C11H14O3/c1-9-3-5-11(6-4-9)14-8-7-13-10(2)12/h3-6H,7-8H2,1-2H3
(3)InChIKey: ZJMLZGKLUMJGSL-UHFFFAOYAA

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