6,6'-di-tert-butyl-4,4'-diethyl-2,2'-methylenediphenol

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

weight of evidence

Study period:

2017

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Acceptable study report which meets basic scientific principles and basic data given.

Reason / purpose for cross-reference:

reference to same study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

not specified

GLP compliance:

no

Type of method:

flask method

Water solubility:

< 1 mg/L

Conc. based on:

test mat.

Temp.:

25 °C

Remarks on result:

other: No information on pH but assumed to be 'neutral'

Details on results:

The collected supernatants were measured in the same fashion against the calibration curve generated by the standards. However, no peak for the CYANOX® 425 was detected in either of the collected surpernatants. The concentration of CYANOX® 425 in all the samples is below GC/MS detection limit, 1ppm.

Conclusions:

The water solubility was determined to be < 1 mg/L (< 1 ppm)

Executive summary:

The water solubility of 6,6'-di-tert-butyl-4,4'-diethyl-2,2'-methylenediphenol was determined by using the shake flask method of OECD Guideline 105. The water solubility at 25°C was < 1 mg/L, the lower limit of quantification of the analytical method (GC/MS).

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

weight of evidence

Study period:

January 12 to March 12, 2012

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Study part of GLP compliant bioaccumulation study. Basic data given but no detailed test protocol available.

Reason / purpose for cross-reference:

reference to same study

Guideline:

other: Not specified

GLP compliance:

yes (incl. QA statement)

Type of method:

column elution method

Water solubility:

0.736 µg/L

Temp.:

25 °C

Remarks on result:

other: No information on pH but assumed to be 'neutral'

Conclusions:

The water solubility was determined to be 0.736 µg/L

Executive summary:

The water solubility of 6,6'-di-tert-butyl-4,4'-diethyl-2,2'-methylenediphenol was determined by using the column elution method. The water solubility at 25°C was 0.736 µg/L.

Reference 3

Endpoint:

water solubility

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: This is an accepted calculation method supported by a limited amount of additional validation.

Justification for type of information:

QSAR estimation by WSKOWWIN program, U.S EPA/Syracuse Research, v1.42 (see attached QMRF and QPRF).

Qualifier:

no guideline followed

Principles of method if other than guideline:

QSAR estimation by WSKOWWIN program, U.S EPA/Syracuse Research, v1.42 (see attached QMRF and QPRF).

GLP compliance:

no

Type of method:

other: QSAR estimation by WSKOWWIN v1.42, EPI Suite v4.1 (see attached QMRF and QPRF).

Water solubility:

0 mg/L

Temp.:

25 °C

Remarks on result:

other: No information on pH but assumed to be 'neutral'

Conclusions:

A water solubility value of 0.00036 mg/L was predicted for the substance using a relevant estimation method.

Executive summary:

Using EPISuite V4.1 (WSKOWWIN V1.42), the water solubilty of 6,6'-di-tert-butyl-4,4'-diethyl-2,2'-methylenediphenol was estimated to be 0.00036 mg/L. The measured melting point value of 125°C was used for the predictions.

Description of key information

The available studies on water solubility show that the water solubility of 6,6'-di-tert-butyl-4,4'-diethyl-2,2'-methylenediphenol is below 1 µg/L.  

Additional information

In accordance with section 1.2 of REACH Annex XI, the available information on water solubility of 6,6'-di-tert-butyl-4,4'-diethyl-2,2'-methylenediphenol was assessed in a "Weight-of-Evidence" approach.

The water solubility determined by GC/MS using the flask method is well below 1 mg/L, the lower limit of quantification of the analytical method (Stamford, 2017). A water solubility of 0.736 µg/L at 25°C was found by using the column elution method (Kurume, 2012). The water solubility was predicted to be 0.36 µg/L by using the QSAR model WSKOWWIN v1.42.

Based on this information it can be concluded that the water solublity of 6,6'-di-tert-butyl-4,4'-diethyl-2,2'-methylenediphenol is < 1 µg/L.