[1,3-phenylenebis(1-methylethylidene)]bis[tert-butyl] peroxide

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

key study

Study period:

08 October 2009 to 26 November 2009

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

see read across rationale in Section 13.2

Reason / purpose for cross-reference:

read-across source

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

column elution method

Water solubility:

0.04 mg/L

Temp.:

20 °C

pH:

>= 7 - <= 7.4

Details on results:

The detector calibration was found to be linear over the range 0 to 0.5 mg/L of standard solutions in acetonitrile:water (1:1 v/v) with a regression coefficient of 1.0000.

The mean values obtained from the two tests at different flow rates did not differ by more than 30% and were thus considered acceptable.

A mean recovery of 85% of [1,3(or 1,4)-Phenylenebis(1-methylethylidene)]bis[tertbutyl] peroxide from a set of eight fortified control samples was achieved and deemed to be acceptable, whilst no significant interfering peaks were evident in blank control solutions.

 

1. Column flow rate 0.4 mL/minute

Sample number	Concentration (mg/L)	pH
0.4A	0.041	7.3
0.4B	0.038	7.0
0.4C	0.041	7.0
0.4D	0.044	7.0
0.4E	0.043	7.0
0.4F	0.042	7.0

Water solubility = 0.042 ± 0.002 mg/L (CV = 5.0%)

2. Column flow rate 0.2ml/minute

Sample number	Concentration (mg/L)	pH
0.2A	0.038	7.1
0.2B	0.041	7.4
0.3C	0.042	7.1
0.2D	0.039	7.2
0.2E	0.037	7.1

Water solubility = 0.040 ± 0.002 mg/L (CV = 4.6%)

Overall mean water solubility = 0.041 ± 0.002 mg/L (CV = 5.4%)

 

Conclusions:

Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
[1,3(or 1,4)-phenylenebis(1-methylethylidene)]bis[tert-butyl] peroxide has a water solubility of 0.04 mg/L at 20°C at pH values of 7.0 to 7.4.

Executive summary:

The water solubility of [1,3(or 1,4)-Phenylenebis(1-methylethylidene)]bis[tertbutyl] peroxide was evaluated in a study performed in accordance with OECD testing guideline 105 and GLP requirements.

The columnelution method was used.

The water solubility has been calculated as the mean value from at least five consecutive samples taken from the saturation plateau. Water solubility was determined as being 0.04 mg/L at 20ºC. The pH values of the samples ranged from 7.0 to 7.4.

Validity criteria were fulfilled.

Description of key information

The water solubility of [1,3-phenylenebis(1-methylethylidene)]bis[tert-butyl] peroxide is ca. 0.04 mg/l based on evaluation of the analogous 25155-25-3 [1,3(or 1,4)-phenylenebis(1-methylethylidene)]bis[tert-butyl] peroxide in a study performed in accordance with OECD testing guideline 105 and GLP requirements. The column elution method was used. Validity criteria were fulfilled.

The water solubility at 20°C was determined to be 0.04 mg/l.

This is confirmed by a non-GLP study where the measured average water solubility is 20.3 μg/L and 34.1 μg/L for [1,3-phenylenebis(1 - methylethylidene)]bis[tert-butyl] peroxide and [1,3(or 1,4)-phenylenebis(1-methylethylidene)]bis[tertbutyl] peroxide, respectively.

Key value for chemical safety assessment

Water solubility:

0.04 mg/L

at the temperature of:

20 °C

Additional information

The water solubility of [1,3-phenylenebis(1-methylethylidene)]bis[tert-butyl] peroxide was estimated with EPISUITE software. The calculated water solubility of the substance is < 10 ug/l at 25 oC. 

The water solubility of analogous 25155-25-3 [1,3(or 1,4)-phenylenebis(1-methylethylidene)]bis[tert-butyl] peroxide was evaluated in a study performed in accordance with OECD testing guideline 105 and GLP requirements. The column elution method was used. The water solubility at 20 oC was determined to be 0.04 mg/l. Therefore, it is presumed that the water solubility of [1,3-phenylenebis(1-methylethylidene)]bis[tert-butyl] peroxide is considered to be 0.04 mg/l.

This is confirmed by a non-GLP study according to OECD guideline 105, in which the registered substance and its analogue (CAS 25155 -25 -3) were compared. The determined results for water solubility of both test substances are an average value of all measured time points. The average water solubility is 20.3 μg/L and 34.1 μg/L for [1,3-phenylenebis(1 - methylethylidene)]bis[tert-butyl] peroxide and [1,3(or 1,4)-phenylenebis(1-methylethylidene)]bis[tertbutyl] peroxide, respectively.

Consequently and according to experimental and estimated values, [1,3-phenylenebis(1-methylethylidene)]bis[tert-butyl] peroxide can be considered as insoluble in water.