Phenol, para-alkylation products with C10-15 branched olefins (C12 rich) derived from propene oligomerization, reaction products with sulphur monochloride and dec-1-ene

Water solubility

Description of key information

There are no available data for this endpoint for CAS: 96152-43-1, therefore studies from supporting, structurally similar substances have been used for read-across purposes to address this endpoint. A value of <0.206mg/l is used for further assessment purposes, this being highest potential value from the available read-across data.   
The highest value obtained was <0.206 mg/L (Woolley & Mullee, 2003) and is a "less than" value due to the method of detection not being sensitive enough, with this in mind and the evidence from the other studies, it is determined that the substance is poorly soluble.
According to the EU Directive 67/548/EEC, a poorly soluble substance can be defined as a substance with a solubility of less than 1 mg/L.

Key value for chemical safety assessment

Water solubility:

0.206 mg/L

at the temperature of:

20 °C

Additional information

There are no available data for this endpoint for CAS: 96152-43-1, therefore studies from supporting, structurally similar substances have been used as for read-across purposes to address this endpoint using a weight of evidence approach. For further assessment purposes, the highest potential value of 0.206mg/l was adopted as a surrogate for a real measured value.

- The Woolley & Muller study (SPL project number: 1666/018) was conducted to a recognised guideline and GLP. The reliability rating for this study is 1, however this is being used as read across to a supporting substance (Phenol, nonyl derivatives, sulfide CAS No. 68515-93-5) and so the reliability rating will be reduced to 2, according to the criteria of Klimisch, 1997. The water solubility of the test material was not able to be determined using the current method. A method detection limit (utilizing the instrument detection limit) of 2.06 x 10^-4g/l at 20.0 ± 0.5°C was calculated using the lowest calibration standard employed. This value is then used to estimate the maximum solubility as a limit value less than 2.06 x 10^-4g/l at 20.0 ± 0.5°C. The material in this test is very similar to the Registration material apart from the fact that the alkyl chains tend to be shorter (average C9) instead of C12, and hence the water solubility is likely to be higher than the true Registration material solubility. However this is deemed precautionary in terms of mobility and bioavailability and so this value was selected for further assessment purposes.

- The Rausina (1996) study was assigned a reliability rating of 2 according to the criteria of Klimisch, 1997 as it is considered to be a well-conducted but non-guideline non-GLP study. Restricted because study lacks detailed information on individual data and the study is a specialized method that was developed due to very limited water solubility and difficulty in analysis.

The water solubility was determined to be approximately 0.082 mg/l.

- The Dutta (2003) study was conducted to the OECD 105 guideline. The reliability rating for this study is 1, however this is being used as read across to an analogous substance, calcium thiobis[dodecylphenolate] (CAS No. 26998-97-0) as there were no available data to fulfil this endpoint for the test material and so the reliability rating will be reduced to 2, according to the criteria of Klimisch, 1997. The Water Solubility was determined to be 0.057 mg/L of solution at 25°C, using shake flask method.