Product Name

  • Name

    ethyl 2-(3-hydroxyphenoxy)-2-methylpropanoate

  • EINECS
  • CAS No. 328919-24-0
  • Article Data2
  • CAS DataBase
  • Density 1.133 g/cm3
  • Solubility
  • Melting Point
  • Formula C12H16O4
  • Boiling Point 334.222 °C at 760 mmHg
  • Molecular Weight 224.257
  • Flash Point 123.37 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 328919-24-0 (ethyl 2-(3-hydroxyphenoxy)-2-methylpropanoate)
  • Hazard Symbols
  • Synonyms ethyl 2-(3-hydroxyphenoxy)-2-methylpropanoate; propanoic acid, 2-(3-hydroxyphenoxy)-2-methyl-, ethyl ester; LogP
  • PSA 55.76000
  • LogP 2.11270

Ethyl 2-(3-hydroxyphenoxy)-2-methylpropanoate Specification

The IUPAC name of this chemical is ethyl 2-(3-hydroxyphenoxy)-2-methylpropanoate. With the CAS registry number 328919-24-0, it is also named as propanoic acid, 2-(3-hydroxyphenoxy)-2-methyl-, ethyl ester. In addition, the formula is C12H16O4 and the molecular weight is 224.25. 

The other characteristics of Ethyl 2-(3-hydroxyphenoxy)-2-methylpropanoate can be summarized as: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.768; (4)ACD/LogD (pH 7.4): 2.764; (5)ACD/BCF (pH 5.5): 74.76; (6)ACD/BCF (pH 7.4): 74.031; (7)ACD/KOC (pH 5.5): 763.432; (8)ACD/KOC (pH 7.4): 755.983; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.76 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 59.718 cm3; (15)Molar Volume: 197.93 cm3; (16)Polarizability: 23.674×10-24 cm3; (17)Surface Tension: 39.98 dyne/cm; (18)Density: 1.133 g/cm3; (19)Flash Point: 123.37 °C; (20)Enthalpy of Vaporization: 60.005 kJ/mol; (21)Boiling Point: 334.222 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:CCOC(=O)C(C)(C)Oc1cccc(c1)O
2. InChI:InChI=1/C12H16O4/c1-4-15-11(14)12(2,3)16-10-7-5-6-9(13)8-10/h5-8,13H,4H2,1-3H3
3. InChIKey:PBNAWTJZYVLBIP-UHFFFAOYAF
4. Std. InChI:InChI=1S/C12H16O4/c1-4-15-11(14)12(2,3)16-10-7-5-6-9(13)8-10/h5-8,13H,4H2,1-3H3
5. Std. InChIKey:PBNAWTJZYVLBIP-UHFFFAOYSA-N

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