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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2004-04-30 - 2004-06-04
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study following GLP.
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Remarks:
2003-02-13
Type of method:
column elution method
Specific details on test material used for the study:
CYANOX® 1790 Antioxidant
IUPAC nomenclature - Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate
Synonym - [tris(4-t-butyl-3-hydroxy-2,6-dimethyl-benzyl)-s-triazine-2,4,6-(1H,3H,5H) trione]
Lot PA4040608
Appearance - White powder, odorless
CAS No. 40601-76-1
Molecular Formula - C42H57N3O6
Molecular Weight - 699.92 g/mole
Purity > 99%
Water solubility:
< 0 g/L
Temp.:
20 °C
pH:
> 6.1 - < 6.9
Details on results:
Eight samples of each of the duplicate studies were analyzed by HPLC. With the exception of Sample A6 and Sample A7, no detectable quantities of test material were present in any sample solutions on analysis. Therefore a limit value which incorporated the trace concentrations in these two samples has been reported as the definitive result. The overall limit value of less than 0.00002 g/L of solution was calculated from the nominal concentration of the lowest validation linearity standard shown to be detectable (0.01 mg/L) corrected for dilution factor (2).

Due to a power failure, flow through of the systems was interrupted for a period of time. This was considered not to impact on the validity of the study, since the flow was restored 47 hours prior to the first sample timepoint and 125 hours prior to the final sample timepoint.

Validation: The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 1.0 to 0.01 mg/L. THis was satisfactory with a correlation coefficient of 0.999 being obtained.
Conclusions:
The water solubility of the test material has been determined to be less than 2.0 x 10-5 g/L of solution at 20.0 °C +- 0.5 °C.

Description of key information

The water solubility was determined to be < 0.02 mg/L (< 20 ppm) by the column elution method of OECD Guideline 105 and Method 830.7840 of the OPPTS Guidelines.

The water solubility of the test substance was determined to be < 100 ppb (< 0.1 mg/L) using the shake flask method of OECD Guideline 105.

The lower of these values was selected as the water solubility.

Key value for chemical safety assessment

Water solubility:
0.02 mg/L
at the temperature of:
20 °C

Additional information

Two independent water solubility determinations were obtained on this material. In the first study, the water solubility was determined by Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and Method 830.7840 of the OPPTS Guidelines was used, using the column elution method with a recirculating pump. In the second study, water solubility was determined using the shake flask method of OECD Guideline 105. The column elution method gave a water solubility of < 0.00002 g/L (0.02 mg/L). This was the lower limit of quantitation for the analytical method. The shake flask method gave a water solubility of < 100 ppb, the lower limit of quantitation of the analytical method.