Product Name

  • Name

    Ethanone, 1-(2-hydroxy-5-nonylphenyl)-, oxime

  • EINECS
  • CAS No. 59344-62-6
  • Article Data2
  • CAS DataBase
  • Density 1.008g/cm3
  • Solubility
  • Melting Point
  • Formula C17H27NO2
  • Boiling Point 425.864 °C at 760 mmHg
  • Molecular Weight 277.407
  • Flash Point 276.572 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 59344-62-6 (Ethanone, 1-(2-hydroxy-5-nonylphenyl)-, oxime)
  • Hazard Symbols
  • Synonyms SME 530;LIX 84I;Ethanone,1-(2-hydroxy-5-nonylphenyl)-,oxime;SME 529;Shell 529;MOC 45;
  • PSA 52.82000
  • LogP 4.88350

Synthetic route

2-hydroxy-5-nonylacetophenone
115851-77-9

2-hydroxy-5-nonylacetophenone

2-hydroxy-5-nonylacetophenone oxime
59344-62-6

2-hydroxy-5-nonylacetophenone oxime

Conditions
ConditionsYield
With isooctanoic acid; hydroxylamine hydrochloride; sodium carbonate In water; toluene at 70℃; for 4h; Temperature; Microwave irradiation;95%
Reaxys ID: 11463830

Reaxys ID: 11463830

2-hydroxy-5-nonylacetophenone oxime
59344-62-6

2-hydroxy-5-nonylacetophenone oxime

Conditions
ConditionsYield
With sodium carbonate; hydroxylamine sulfate In Octanoic acid; water at 70℃; for 4.5h;353 - 416 g
4-Nonylphenol
104-40-5

4-Nonylphenol

2-hydroxy-5-nonylacetophenone oxime
59344-62-6

2-hydroxy-5-nonylacetophenone oxime

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium hydrogen sulfate / 3 h / Reflux
2: silica gel-supported solid composite chloride salt / hexane / 0.02 h / Microwave irradiation
3: isooctanoic acid; hydroxylamine hydrochloride; sodium carbonate / toluene; water / 4 h / 70 °C / Microwave irradiation
View Scheme

2'-Hydroxy-5'-nonylacetophenone ketoxime Specification

The 2'-Hydroxy-5'-nonylacetophenone ketoxime, with CAS registry number 59344-62-6, has the systematic name of ethanone, 1-(2-hydroxy-5-nonylphenyl)-, oxime. Besides tihs, it is also called 2-(N-Hydroxyethanimidoyl)-4-nonylphenol. And the chemical formula of this chemical is C17H27NO2.

Physical properties of 2'-Hydroxy-5'-nonylacetophenone ketoxime: (1)ACD/LogP: 6.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.755; (4)ACD/LogD (pH 7.4): 6.75; (5)ACD/BCF (pH 5.5): 80070.125; (6)ACD/BCF (pH 7.4): 79164.852; (7)ACD/KOC (pH 5.5): 112581.352; (8)ACD/KOC (pH 7.4): 111308.5; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 52.82 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 82.732 cm3; (15)Molar Volume: 275.319 cm3; (16)Polarizability: 32.798×10-24cm3; (17)Surface Tension: 35.488 dyne/cm; (18)Density: 1.008 g/cm3; (19)Flash Point: 276.572 °C; (20)Enthalpy of Vaporization: 71.746 kJ/mol; (21)Boiling Point: 425.864 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(2-hydroxy-5-nonyl-phenyl)-ethanone. This reaction will need reagents NH2OH.HCl, pyridine.

this chemical can be prepared by 1-(2-hydroxy-5-nonyl-phenyl)-ethanone

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCc1ccc(c(c1)C(=NO)C)O
(2)InChI: InChI=1/C17H27NO2/c1-3-4-5-6-7-8-9-10-15-11-12-17(19)16(13-15)14(2)18-20/h11-13,19-20H,3-10H2,1-2H3
(3)InChIKey: JWLRQNQOJOZVOX-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C17H27NO2/c1-3-4-5-6-7-8-9-10-15-11-12-17(19)16(13-15)14(2)18-20/h11-13,19-20H,3-10H2,1-2H3
(5)Std. InChIKey: JWLRQNQOJOZVOX-UHFFFAOYSA-N

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