diethyl 1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate

Solubility in organic solvents / fat solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

solubility in organic solvents / fat solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

22.01.1991-26.01.1991

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

other: OECD Guideline105

Deviations:

yes

Remarks:

different organic solvents

GLP compliance:

yes

Remarks:

Pharma Research Referat (GLP)

Medium:

toluene

Solubility:

> 400 g/L

Temp.:

20 °C

Medium:

acetone

Solubility:

> 500 g/L

Temp.:

20 °C

Medium:

methanol

Solubility:

> 400 g/L

Temp.:

20 °C

Medium:

isopropanol

Solubility:

151 g/L

Temp.:

20 °C

Medium:

ethyl acetate

Solubility:

> 400 g/L

Temp.:

20 °C

Medium:

other: n-hexane

Solubility:

35 g/L

Temp.:

20 °C

Medium:

other: dichloromethane

Solubility:

> 500 g/L

Temp.:

20 °C

Medium:

other: polyethylene glycol

Solubility:

151 g/L

Temp.:

20 °C

Medium:

DMSO

Solubility:

> 500 g/L

Temp.:

20 °C

Medium:

other: sesame oil

Solubility:

56 g/L

Temp.:

20 °C

Test substance stable:

yes

Details on results:

Information on chemical stability: No degradation could be observed on the basis of the chromatograms during the 3-day test period.

All analytical samples obtained during the study were worked up completely. No samples could be stored in the testing facility at the end of the study.

Reference 2

Endpoint:

solubility in organic solvents / fat solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

15.09.2004-4.02.2005

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

equivalent or similar to guideline

Guideline:

other: Guideline 92/96/EEC, appendix A.6

Deviations:

yes

Remarks:

solvent: 1-octanol

Qualifier:

equivalent or similar to guideline

Guideline:

other: OECD Guideline 105

Deviations:

yes

Remarks:

solvent: 1-octanol

Principles of method if other than guideline:

Flask method

GLP compliance:

yes (incl. QA statement)

Remarks:

HESSISCHES MINISTERIUM FÜR UMWELT, LANDWIRTSCHAFT UND FORSTEN

Medium:

n-octanol

Solubility:

111 g/L

Temp.:

20 °C

Test substance stable:

yes

Details on results:

Standard deviation 1.9 g/L, relative standard deviation 1.7 %

Experimental data:

Experiment	Peak areas Experiment	Standard		Conc. of test item (g/L)
		Conc.(mg/L)	Peak areas (mV*min)
1	283.719	102.0	373.085	95.9
	277.628		373.059
mean	280.6735		373.072
2	360.403	102.0	373.085	123.3
	361.123		373.059
mean	360.763		373.072
Mean (experiments 1 to 2)				109.6
3	309.308	95.4	332.871	111.4
	310.199		330.076
mean	309.7535		331.4735
4	305.029	95.4	332.871	113.2
	324.529		330.076
mean	314.779		331.4735
Mean (experiments 3 to 4)				112.3
Mean (experiments 1,2 to 3,4)				111.0

 

Description of key information

Information on chemical stability: No degradation could be observed on the basis of the chromatograms during the 3-day test period (OECD Guideline105).

Solvent Solubility [g/L]

n-hexane: 35

toluene: > 400

acetone: > 500

dichloromethane: >500

methanol: > 400

isopropanol: 151

ethylacetate: > 400

polyethylene glycol: 151

dimethylsulfoxide: > 500

sesame oil: 56