Product Name

  • Name

    2-HYDROXY-1-(4-METHOXYPHENYL)-1-ETHANONE

  • EINECS 223-955-7
  • CAS No. 4136-21-4
  • Article Data99
  • CAS DataBase
  • Density 1.166 g/cm3
  • Solubility
  • Melting Point 100-103 °C
  • Formula C9H10O3
  • Boiling Point 316.6 °C at 760 mmHg
  • Molecular Weight 166.177
  • Flash Point 129.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 4136-21-4 (2-HYDROXY-1-(4-METHOXYPHENYL)-1-ETHANONE)
  • Hazard Symbols
  • Synonyms Acetophenone,2-hydroxy-4'-methoxy- (7CI,8CI);1-p-Anisyl-2-hydroxyethanone;2-Hydroxy-1-(4-methoxyphenyl)ethanone;2-Hydroxy-4'-methoxyacetophenone;NSC67341;a-Hydroxy-4-methoxyacetophenone;
  • PSA 46.53000
  • LogP 0.87020

Ethanone,2-hydroxy-1-(4-methoxyphenyl)- Specification

The Ethanone, 2-hydroxy-1-(4-methoxyphenyl)-, with the CAS registry number 4136-21-4, is also known as 1-p-Anisyl-2-hydroxyethanone. And its EINECS registry number is 223-955-7. This chemical's molecular formula is C9H10O3 and molecular weight is 166.17. What's more, its IUPAC name is 2-Hydroxy-1-(4-methoxyphenyl)ethanone.

Physical properties about Ethanone, 2-hydroxy-1-(4-methoxyphenyl)- are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 1.45; (6)ACD/BCF (pH 7.4): 1.45; (7)ACD/KOC (pH 5.5): 45.3; (8)ACD/KOC (pH 7.4): 45.3; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 44.49 cm3; (15)Molar Volume: 142.4 cm3; (16)Polarizability: 17.63×10-24 cm3; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.166 g/cm3; (19)Flash Point: 129.4 °C; (20)Enthalpy of Vaporization: 58.9 kJ/mol; (21)Boiling Point: 316.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000171 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(OC)cc1)CO
(2) InChI: InChI=1/C9H10O3/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,10H,6H2,1H3
(3) InChIKey: YTOKFOPFITZGDM-UHFFFAOYAG

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