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Physical & Chemical properties

Water solubility

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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:
reference to same study
Qualifier:
according to
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).

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:
reference to same study
Guideline:
other: Not specified
GLP compliance:
yes (incl. certificate)
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.

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.  

Key value for chemical safety assessment

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.