6,6'-di-tert-butyl-2,2'-methylenedi-p-cresol

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2010

Reliability:

1 (reliable without restriction)

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to other study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Type of method:

column elution method

Water solubility:

0.007 mg/L

Temp.:

20 °C

pH:

6.6

Details on results:

The water solubility was derived from the results of two columns as mean value of both columns.

1.1.                    Results

To determine the concentrations of the test item, twenty fractions were collected from column 1 and ten fractions from column 2. All data points are listed in the following tables including the five fractions with constant concentrations, which were used for the determination of the water solubility (marked with *).

Table 1:      Individual values column 1

Column 1 (12 mL/h)
Fraction no.	pH value	Concentration in mg/L	Fraction no.	pH value	Concentration in mg/L
1 / 1	4.3	0.01316	1 / 11	6.4	0.00621 *
1 / 2	6.6	0.07237	1 / 12	6.6	0.00568 *
1 / 3	6.4	0.00660	1 / 13	6.5	0.00621 *
1 / 4	6.5	0.00594	1 / 14	6.5	0.00569
1 / 5	6.6	0.00619	1 / 15	6.6	0.00634
1 / 6	6.6	0.00558	1 / 16	6.6	0.00615
1 / 7	6.6	0.00642	1 / 17	6.6	0.00526
1 / 8	6.6	0.00565	1 / 18	6.6	0.00558
1 / 9	6.6	0.00630 *	1 / 19	6.6	0.00492
1 / 10	6.5	0.00626 *	1 / 20	6.6	0.00689

 

Table 2:      Individual values column 2

Column 2 (24 mL/h)
Fraction no.	pH value	Concentration in mg/L	Fraction no.	pH value	Concentration in mg/L
2 / 1	6.6	0.00854	2 / 6*	6.6	0.00732 *
2 / 2*	6.6	0.00759 *	2 / 7	6.6	0.01151
2 / 3*	6.6	0.00834 *	2 / 8	6.6	0.00842
2 / 4*	6.6	0.00748 *	2 / 9	6.6	0.00890
2 / 5*	6.6	0.00736 *	2 / 10	6.6	0.00946

 

Column 1

Mean value:                            0.00613 mg/L

Standard deviation:         0.000255 mg/L

Relative standard deviation:     4.2 %

 

Column 2

Mean value:                            0.00762 mg/L

Standard deviation:         0.000419 mg/L

Relative standard deviation:     5.5 %

Mean value of both columns:     0.007 mg/L

Result of preliminary test:         < 0.01 mg/L

The water solubility of the test item “Vulkanox BKF, 2 x umkristallisiert” (twofold recrystallised) is determined to be:  0.007 mg/L.

Conclusions:

The water solubility of Vulkanox (DBMC) is 0.007 mg/L at 20 °C, hence the substance is poorly soluble in water (< 0.1 mg/L).

Executive summary:

The water solubility of the test item “Vulkanox BKF, 2 x umkristallisiert” (DBMC twofold recrystallised) was determined with the column elution method at 20°C and HPLC-analysis according to OECD TG 105. The water solubility of Vulkanox (DBMC) is determined to be 0.007 mg/L at 20 °C, hence the substance is poorly soluble in water.

Description of key information

The water solubility of Vulkanox BKF (DBMC) was determined to be 0.007 mg/L at 20 °C with the column elution method and HPLC-analysis according to OECD TG 105 (Neuland, 2010); hence the substance is poorly soluble in water.

Key value for chemical safety assessment

Water solubility:

0.007 mg/L

at the temperature of:

20 °C

Additional information

Similar results (0.02 mg/L and < 0.01 g/L) are reported in the two supporting studies (MITI, 1992; OECD SIDS, 2000).
Since the result of the Bayer study (BAYER, 1989) is lacking important experimental data such as pH value and test item identity, its resulting water solubility value of 0.92 mg/L is not reliable.