4-(4-isopropoxyphenylsulfonyl)phenol

Other distribution data

Administrative data

Endpoint:

other distribution data

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 2003-12-15 to 2003-12-18

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2003

Report date:

2003

Materials and methods

Test guideline

Qualifier:

no guideline followed

Principles of method if other than guideline:

The purpose of this study was to assess the solubility of the test item in different organic media and water. In a second part of the experiment, the adsorption of the test item to activated sludge was determined. The tests were carried out using simplified methods for determination of solubility and adsorption.

GLP compliance:

not specified

Type of study:

other: Solubility and adsorption

Media:

water - sewage sludge

Test material

Test material information

Constituent 1

Reference substance name:

4-(4-isopropoxyphenylsulfonyl)phenol

EC Number:

405-520-5

EC Name:

4-(4-isopropoxyphenylsulfonyl)phenol

Cas Number:

95235-30-6

Molecular formula:

C15H16SO4

IUPAC Name:

4-[4-(propan-2-yloxy)benzenesulfonyl]phenol

Details on test material:

- Name of test material (as cited in study report): D - 8
- Molecular formula: C15 H16 O4 S;
- Molecular weight: 292.4;
- Physical state: white powder;
- Analytical purity: 99.68 %;
- Purity test date: 2003-08-19;
- Lot/batch No: IBC-005
- Expiration date of the lot/batch: 2008-08-19;
- Stability under test conditions: stable at ambient conditions;
- Storage condition of test material: in original container, in the refrigerator, in the dark;

Results and discussion

Any other information on results incl. tables

Pre-test for the determination of solubility:

The solubility of D-8 was determined in deionised water and different organic media using three concentrations of D-8. The theoretical DOC of D-8 was calculated according the carbon content of the molecule. Table 1 shows the results of the pre-experiments.

 

Table 1. Mean Values of two Determinations of D-8 Concentration and DOC in different Organic Media.

Sample Description	Concentration of D-8 [mg/L]	Calculated^2DOC [mg/L]	Concentration found		Recovery of D-8
			mean DOC [mg/L]	mean HPLC [mg/L]	mean DOC [%]	mean HPLC [%]
D-8/water	10	6.2	4.59	7.46	74.0	74.6
D-8/water	20	12.4	8.42	15.13	67.9	75.6
D-8/water	30	18.6	11.85	21.42	63.7	71.4
mean					68.5	73.9
D-8/synthWW	10	6.2	9.01	9.42	145.4	94.2
D-8/synthWW	20	12.4	9.85	17.98	79.4	89.9
D-8/synthWW	30	18.6	14.45	24.65	77.7	82.2
mean					100.8	88.8
D-8/WW-I filtrated^1	10	6.2	4.44	7.81	71.6	78.1
D-8/WW-I filtrated^1	20	12.4	9.31	15.60	75.1	78.0
D-8/WW-I filtrated^1	30	18.6	15.69	23.04	84.4	76.8
mean					77.0	77.6
D-8/WW-I	10	6.2	-0.58	9.24	-9.4	92.4
D-8/WW-I	20	12.4	3.97	16.57	32.0	82.9
D-8/WW-I	30	18.6	8.61	23.04	46.3	76.8
mean					23.0	84.0
D-8/WW-II filtrated^1	10	6.2	4.22	8.69	68.1	86.9
D-8/WW-II filtrated^1	20	12.4	9.91	17.43	80.0	87.1
D-8/WW-II filtrated^1	30	18.6	17.94	28.02	96.4	93.4
mean					81.5	89.1
D-8/WW-II	10	6.2	4.26	8.54	68.7	85.4
D-8/WW-II	20	12.4	9.01	17.65	72.6	88.2
D-8/WW-II	30	18.6	14.04	26.77	75.5	89.2
mean					72.3	87.6

 

Remark: All samples were filtrated through a 0.6 μm-filter before DOC-analysis.
1: The waste water was filtrated through a 0.6 μm-filter before use.
2: DOC D-8: M = 292.35 g/mol; carbon content = 180.17 g/mol; 1 mg D-8 = 0.62 mg DOC
WW: waste water
/: not applicable

 

As the table shows, the recovery rate of DOC and HPLC-analysis reveals no concentration-depended behaviour. The recovery rate among the test concentrations was quite similar.

 

Pre-test for the determination of D-8 adsorbance behaviour:

The activated sludge adsorption test was carried out using three test concentrations of D-8 and samplings at 0 and 24 hours. The activated sludge was aerated during the test. The results are shown in table 2:

Table 2. Activated Sludge Adsorption Test

Sample Description	Concentration of D-8 [mg/L]	Calculated^1DOC [mg/L]	Concentration found		Recovery of D-8
			mean DOC [mg/L]	mean HPLC [mg/L]	mean DOC [%]	mean HPLC [%]
Act. Sludge/D-8 (0 h)	10	6.2	3.47	5.44	56.0	54.4
Act. Sludge/D-8 (24 h)	10	6.2	5.28	7.15	85.2	71.5
Act. Sludge/D-8 (0 h)	20	12.4	8.34	13.29	67.3	66.5
Act. Sludge/D-8 (24 h)	20	12.4	16.54	18.95	133.4	94.8
Act. Sludge/D-8 (0 h)	30	18.6	13.22	19.23	71.1	64.1
Act. Sludge/D-8 (24 h)	30	18.6	27.38	30.04	147.2	100.1

 

Remark: All samples were filtrated through a 0.6 μm-filter before DOC-analysis.
1: DOC D-8: M = 292.35 g/mol; carbon content = 180.17 g/mol; 1 mg D-8 = 0.62 mg DOC

 

The recovery rate increased with increasing the initial concentrations of D-8. Remarkably, after 24 hours 100 % of the initial concentration of 30 mg D-8 per litre was found in the test solution.

Applicant's summary and conclusion

Conclusions:

The solubility of D-8 does not depend on the initial concentration. The solubility may depend on the duration of mixing. The amount of D-8 solved in organic media was found to be higher than in deionized water. DOC and HPLC-analysis are in good agreement in the range of 20 to 30 mg D-8/L, but more variable at the low concentration level of 10 mg/L.

Executive summary:

The solubility in organic media and the adsorption behaviour of D-8 was tested at three different concentrations – 10, 20 and 30 mg/L. Two sets of preliminary tests were performed. As media synthetic waste water prepared according to OECD 303 was used as well as waste water from two different sewage treatment plants. The waste water was tested as is and also filtrated. The solubility of D-8 does not depend on the initial concentration. The solubility may depend on the duration of mixing-in. The amount of D-8 solved in organic media was found to be higher than in deionized water. DOC and HPLC-analysis are in good agreement in the range of 20 to 30 mg D-8/L, but more variable at the low concentration level of 10 mg/L.

Especially the DOC analysis at this concentration level reveals high variation among the duplicated determination, consequently not allowing a valid determination at this concentration level with the DOC method.

For the main test, natural not filtered waste water is recommendable and D-8 concentration should be measured by HPLC and DOC to allow a correlation between the disappearance (HPLC) and the mineralisation of D-8 (DOC).