Phenol, isopropylated

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

29 Aug 2019 to 04 Nov 2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

EC Guideline A.6. Water Solubility. March 04, 2016.

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

OECD Guideline 105. Water Solubility. July 27, 1995.

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

EPA Product Properties Test Guideline OPPTS 830.7840: Water Solubility: Column Elution Method; Shake Flask Method. March 1998.

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Specific details on test material used for the study:

No further details specified in the study report.

Key result

Water solubility:

4.4 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

5 g/L

Temp.:

20 °C

pH:

> 6.3 - < 6.5

Remarks on result:

other: most polar constituent

Key result

Water solubility:

> 41.5 - < 59.2 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

250 g/L

Temp.:

20 °C

pH:

> 5.9 - < 6

Remarks on result:

other: most polar constituent

Key result

Water solubility:

0.103 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

0.15 g/L

Temp.:

20 °C

pH:

> 6.8 - < 6.9

Remarks on result:

other: least polar constituent

Key result

Water solubility:

0.123 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

0.3 g/L

Temp.:

20 °C

pH:

> 6.6 - < 6.8

Remarks on result:

other: least polar constituent

Key result

Water solubility:

0.122 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

2.5 g/L

Temp.:

20 °C

pH:

> 6.8 - < 6.9

Remarks on result:

other: least polar constituent

Details on results:

Main Study- first eluting test item peak (most polar constituent)
The maximum difference of the concentrations determined in the 24-, 48- and 72- hour test samples was ≤ 15%. Based on this, the water solubility of the test item is given as the mean value of the analysed concentrations.
No test item was detected in the pretreated sample from the blank water mixture.
The maximum difference of the concentrations determined in the 24-, 48- and 72- hour test samples was >15%. No test item was detected in the pretreated sample from the blank water mixture. Since tendency in increasing concertation was observed it was decided to repeat the main study with longer stirring time. The maximum difference of the concentrations determined in the 72-, 96- and 120- hour test samples was >15%. The 72-hour measurement was lower than 72-hour measurement during the main study 1. Results are not conclusive therefore water solubility is given as a range of all measurements. Small responses at the retention time of the test item were detected in the chromatograms of the pretreated sample from the blank water mixture. It was considered to derive from carry-over in the analytical system since similar responses were found in the analytical blanks. The maximum contribution to the samples was 2.2%. It was considered that it has no significant effect on the results of the test samples.

Main Study- last eluting test item peak (least polar constituent)
During first main study no trend in analysed concentrations was observed. Furthermore, analysed concentrations were mainly extrapolated from the calibration curve therefore it was decided to repeat the study.
At the loading rate of 0.15 g/L and 2.5 g/L the maximum difference between the concentrations determined in the 24-, 48- and 72- hour test samples was > 15%. The measured concentrations did not show any trend. Based on this, the water solubility of the test item is given as the mean value of all analyzed concentrations.
At the loading rate of 0.3 g/L, the 24-hour measurement was significantly higher than the 48- and 72- hour measurements (maximum difference > 15%). Based on this, the water solubility of the test item was given as the mean value of the 48- and 72-hour measurements.
No test item was detected in the pretreated sample from the blank water mixture.

Preliminary Test – water solubility of the most popular constituent at 5 loading rates

Loading rate [g/L]	Analyzed concentration [g/L]
0.330 2.90 22.3 75.6 257	0.297 2.81 18.8 44.8 71.5

 

Preliminary Test – water solubility of the least popular constituent at 5 loading rates

Loading rate [g/L]	Analyzed concentration [g/L]
0.330 2.90 22.3 75.6 257	0.0816 0.0760 0.0466 0.0368 0.0322

 

Main study – water solubility of the most polar constituent at loading rate of 5 g/L

Stirring time [hours]	Analyzed concentration [g/L]	Mean [g/L]	Maximum difference [%]	pH
24 48 72	4.29 4.40 4.51	4.40	5.1	6.3 6.5 6.5

 

Main study 1 – water solubility of the most polar constituent at loading rate of 250 g/L

Stirring time [hours]	Analyzed concentration [g/L]	Mean [g/L]	Maximum difference [%]	pH
24 48 72	41.5 42.5 51.5	45.2	22	6.0 6.0 6.0

 

Main study 2 – water solubility of the most polar constituent at loading rate of 250 g/L

Stirring time [hours]	Analyzed concentration [g/L]	Mean [g/L]	Maximum difference [%]	pH
72 96 120	46.0 46.5 59.2	50.6	25	5.9 5.9 5.9

 

Main study – water solubility of the least polar constituent at loading rate of 0.15 g/L

Stirring time [hours]	Analyzed concentration [g/L]	Mean [g/L]	Maximum difference [%]	pH
24 48 72	0.0976 0.0924 0.118	0.103	25	6.9 6.9 6.8

 

Main study – water solubility of the least polar constituent at loading rate of 0.3 g/L

Stirring time [hours]	Analyzed concentration [g/L]	Mean [g/L]	Maximum difference [%]	pH
24 48 72	0.147 0.118 0.128	0.123^1	8.4	6.8 6.8 6.6

¹Mean of 48- and 72- hour measurement

 

Main study – water solubility of the least polar constituent at loading rate of 2.5 g/L

Stirring time [hours]	Analyzed concentration [g/L]	Mean [g/L]	Maximum difference [%]	pH
24 48 72	0.129 0.0880 0.148	0.122	51	6.9 6.9 6.8

 

Conclusions:

The slow-stirring flask method was applied for the determination of the water solubility of ISO-MIX due to its potential volatility. Since test item is multi-constituent water solubility was been determine at least 2 loading rates for most and least polar constituent.
The water solubility of the most polar constituent at loading rate of 5 g/L and at 20°C was 4.40 g/L. The pH of the aqueous samples was 6.3 and 6.5.
The water solubility of the most polar constituent at loading rate of 250 g/L and at 20°C was in the range of 41.5 to 59.2 g/L. The pH of the aqueous samples was 6.0 and 5.9.
The water solubility of the least polar constituent at loading rate of 0.15 g/L and at 20°C was 0.103 g/L. The pH of the aqueous samples was 6.8 and 6.9.
The water solubility of the least polar constituent at loading rate of 0.3 g/L and at 20°C was 0.123 g/L. The pH of the aqueous samples was 6.6 and 6.8.
The water solubility of the least polar constituent at loading rate of 2.5 g/L and at 20°C was 0.122 g/L. The pH of the aqueous samples was 6.8 and 6.9.

Executive summary:

The objective of the study was to determine the following physico-chemical properties for ISO-MIX:

Method Validation

Water Solubility

Partition Coefficient

 

The design of this study is based on the following guidelines:

Water Solubility

EC Guideline A.6. Water Solubility. March 04, 2016.

OECD Guideline 105. Water Solubility. July 27, 1995.

EPA Product Properties Test Guideline OPPTS 830.7840: Water Solubility: Column Elution Method; Shake Flask Method. March 1998.

 

The slow-stirring flask method was applied for the determination of the water solubility of ISO-MIX due to its potential volatility. Since test item is multi-constituent water solubility was been determine at least 2 loading rates for most and least polar constituent.

The water solubility of the most polar constituent at loading rate of 5 g/L and at 20°C was 4.40 g/L. The pH of the aqueous samples was 6.3 and 6.5.

The water solubility of the most polar constituent at loading rate of 250 g/L and at 20°C was in the range of 41.5 to 59.2 g/L. The pH of the aqueous samples was 6.0 and 5.9.

The water solubility of the least polar constituent at loading rate of 0.15 g/L and at 20°C was 0.103 g/L. The pH of the aqueous samples was 6.8 and 6.9.

The water solubility of the least polar constituent at loading rate of 0.3 g/L and at 20°C was 0.123 g/L. The pH of the aqueous samples was 6.6 and 6.8.

The water solubility of the least polar constituent at loading rate of 2.5 g/L and at 20°C was 0.122 g/L. The pH of the aqueous samples was 6.8 and 6.9.

Description of key information

The water solubility of the most polar constituent at loading rate of 5 g/L and at 20°C was 4.40 g/L. The pH of the aqueous samples was 6.3 and 6.5.

The water solubility of the most polar constituent at loading rate of 250 g/L and at 20°C was in the range of 41.5 to 59.2 g/L. The pH of the aqueous samples was 6.0 and 5.9.

The water solubility of the least polar constituent at loading rate of 0.15 g/L and at 20°C was 0.103 g/L. The pH of the aqueous samples was 6.8 and 6.9.

The water solubility of the least polar constituent at loading rate of 0.3 g/L and at 20°C was 0.123 g/L. The pH of the aqueous samples was 6.6 and 6.8.

The water solubility of the least polar constituent at loading rate of 2.5 g/L and at 20°C was 0.122 g/L. The pH of the aqueous samples was 6.8 and 6.9.

Key value for chemical safety assessment

Water solubility:

0.103 g/L

at the temperature of:

20 °C

Additional information

The slow-stirring flask method was applied for the determination of the water solubility of ISO-MIX due to its potential volatility. Since test item is multi-constituent water solubility was been determine at least 2 loading rates for most and least polar constituent.

The water solubility of the most polar constituent at loading rate of 5 g/L and at 20°C was 4.40 g/L. The pH of the aqueous samples was 6.3 and 6.5.

The water solubility of the most polar constituent at loading rate of 250 g/L and at 20°C was in the range of 41.5 to 59.2 g/L. The pH of the aqueous samples was 6.0 and 5.9.

The water solubility of the least polar constituent at loading rate of 0.15 g/L and at 20°C was 0.103 g/L. The pH of the aqueous samples was 6.8 and 6.9.

The water solubility of the least polar constituent at loading rate of 0.3 g/L and at 20°C was 0.123 g/L. The pH of the aqueous samples was 6.6 and 6.8.

The water solubility of the least polar constituent at loading rate of 2.5 g/L and at 20°C was 0.122 g/L. The pH of the aqueous samples was 6.8 and 6.9.