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Ethanone,1-(4-ethyl-3-hydroxyphenyl)-

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  • Name Ethanone,1-(4-ethyl-3-hydroxyphenyl)-
  • EINECSN/A
  • CAS No. 73898-20-1
  • Density1.079 g/cm3
  • PSAN/A
  • LogPN/A
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC10H12O2
  • Boiling Point312.8 °C at 760 mmHg
  • Molecular Weight164.204
  • Flash Point132.425 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 73898-20-1 (Ethanone,1-(4-ethyl-3-hydroxyphenyl)-)
  • Hazard SymbolsN/A
  • SynonymsN/A

Ethanone,1-(4-ethyl-3-hydroxyphenyl)- Specification

The Ethanone,1-(4-ethyl-3-hydroxyphenyl)-, with the CAS registry number 73898-20-1, is also known as p-Decyltrifluoroacetophenone. This chemical's molecular formula is C10H12O2 and molecular weight is 164.203. What's more, its systematic name is 1-(4-Ethyl-3-hydroxy-phenyl)ethanone.

Physical properties about Ethanone,1-(4-ethyl-3-hydroxyphenyl)-: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.102; (4)ACD/LogD (pH 7.4): 2.099; (5)ACD/BCF (pH 5.5): 23.328; (6)ACD/BCF (pH 7.4): 23.124; (7)ACD/KOC (pH 5.5): 331.684; (8)ACD/KOC (pH 7.4): 328.787; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 47.712 cm3; (15)Molar Volume: 152.211 cm3; (16)Surface Tension: 40.535 dyne/cm; (17)Density: 1.079 g/cm3; (18)Flash Point: 132.425 °C; (19)Enthalpy of Vaporization: 57.591 kJ/mol; (20)Boiling Point: 312.8 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCc1ccc(cc1O)C(=O)C
(2) InChI: InChI=1/C10H12O2/c1-3-8-4-5-9(7(2)11)6-10(8)12/h4-6,12H,3H2,1-2H3
(3) InChIKey: CHGLHDYZTVAACJ-UHFFFAOYAL

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