4-(4-isopropoxyphenylsulfonyl)phenol

Solubility in organic solvents / fat solubility

Link to relevant study record(s)

Reference

Endpoint:

solubility in organic solvents / fat solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1990-08-02 to 1990-08-03

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 116 (Fat Solubility of Solid and Liquid Substances)

Deviations:

no

GLP compliance:

yes

Key result

Medium:

standard fat

Solubility:

0.891 g/kg solvent

Temp.:

37 °C

Test substance stable:

not determined

Details on results:

The solubility of D-8 in fat was determined to 0.891 ± 0.022 g/kg of fat at 37 °C.
There was no difference in the solubility between the holding temperatures of 30 and 50 °C.
Further details see Sect. "Remarks on results incl. tables and figures".

Experimental procedure:

About 0.5 g of D-8 was weighed into eight 50 mL Erlenmeyer flasks and about 25 g of melted standard fat was added to each flask. Then stirring bars were put into the flasks. They were tightly stoppered. The four flaks were kept at 50 °C, and the other 4 flasks at 30 °C with stirring by magnetic stirrer for 3 hrs. After the preliminary heating, all flasks were kept at 37 ± 0.5 °C for 16 and 24 hrs in a chamber with stirring.

The solution was quickly transferred into centrifugal tubes made of Teflon, respectively, and centrifugated for 20 min with 12,000 rpm at 37 °C. About 1 mL of the upper layer was gently pipetted into a tared 100 mL volumetric flask and weighed. The mixed solvent (Ethyl acetate : Acetonitrile 3 : 2) was added to the mark of the flask. After shaking sufficiently, 10 mL of the solution was pipetted into a 25 mL volumetric flask. Acetonitrile was added to the mark. After shaking thoroughly, 10 µL of the solution was injected into the HPLC.

Calculation of content:

The content of D-8 in the standard fat was determined by comparing with peak areas of D-8 in the standard solution. The solubility of D-8 in the fat was calculated in two ways as follows:

a) Concentration in final solution: (C, mg/L) = Cs x Vs x Au / As x Vu;

b) Solubility in fat (S, %) = 100 x C x Cf;

c) Solubility (g/kg fat) = 1000 x S/(100 - S);

Where

Cs : Concentration of D-8 standard solution (mg(L)

Vs : Injected volume of D-8 standard solution (µL)

Au : Integral peak area of sample

As : Mean of integral peak area of standard

Vu : Injected volume of sample solution (µL)

Cf : Concentration of fat + D-8 in final solution (mg/L)

Table: Solubility of D-8 in Standard Fat.

Pre-stirring conditions	Stirring (37° C) time (hrs)	Sample No.	Weiht of D-8 + fat sampled (mg)	Conc. of final soln.		Solubility of D-8
				D-8 + fat (mg/L)	D-8 (mg/L)	( % in fat)	( g in Kg fat)
					3.03*	0.0880	0.881
		1	862	3448
					3.01	0.0872	0.873
	16				3.24	0.0915	0.916
		2	885	3540
					3.12	0.0882	0.883
50 °C
(3 hrs)					2.86	0.0874	0.875
		5	817	3268
					2.85	0.0873	0.873
	24				3.14	0.0936	0.937
		6	839	3356
					3.13	0.0931	0.932
	Av. S.E.	-	-	-	-	0.0895 0.0027	0.896 0.027
					3.26	0.0908	0.909
		3	896	3584
					3.21	0.0896	0.897
	16				3.12	0.0885	0.886
		4	881	3524
					3.06	0.0869	0.870
30 °C
(3 hrs)					2.97	0.0873	0.874
		7	850	3400
					2.96	0.0872	0.872
	24				3.10	0.0886	0.887
		8	873	3492
					3.09	0.0884	0.885
	Av. S.E.	-	-	-	-	0.0884 0.0013	0.885 0.013
Grand	Av. S.E.	-	-	-	-	0.0890 0.0022	0.891 0.022

* HPLC measurements were duplicated

Conclusions:

The solubility of D-8 in Standard Fat was determined in accordance with OECD Guideline 116. The solubility of D-8 was found to be 0.891 g/kg of Standard Fat at 37 °C.

Executive summary:

The solubility of D-8 in Standard Fat was determined in accordance with OECD Guideline 116. The test item was dissolved in Standard Fat by stirring.

The detection of the dissolved test item was performed by HPLC and comparison with standard solutions of D-8. The solubility of D-8 in Standard Fat was found to be 0.891 g/kg at a temperature of 37 °C.

Description of key information

The solubility of D-8 in Standard Fat was determined in accordance with OECD Guideline 116. The solubility of D-8 was found to be 0.891 g/kg of Standard Fat at 37 °C.

Key value for chemical safety assessment

Solubility in mg/100g standard fat:

0.891

At the temperature of:

37 °C

Additional information

The solubility of D-8 in Standard Fat was determined in accordance with OECD Guideline 116. The test item was dissolved in Standard Fat by stirring.

The detection of the dissolved test item was performed by HPLC and comparison with standard solutions of D-8. The solubility of D-8 in Standard Fat was found to be 0.891 g/kg at a temperature of 37 °C.