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Water solubility

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Description of key information

Because a method of quantitation for the test substance that limits of detections low enough to see the test substance in the water samples could not be developed, the water solubility of HiMO LAB was estimated by three quantitative structure activity relationship (QSAR) methods.  EPI Suite estimated water solubility from fragments as 4.0074E-07 mg/L. ALOGPS estimated the water solubility as 4.96E-03 mg/L (ALOGpS) and 6.53E-03 mg/L (AC_logS), respectively. SPARC estimated the water solubility as 5.06E-10 mg/L.  It can be concluded that the water solubility is  far below  0.1 mg/L.

Key value for chemical safety assessment

Additional information

The purpose of this study was to determine the solubility of the test substance in water.While a small amount of HiMo LAB was seen in some of the definitive samples, the highest amount detected in any definitive sample was approximately 13% of the amount seen in the LOD samples. Therefore, HiMo LAB could not be accurately quantitated. Because a method of quantitation for the test substance that limits of detections low enough to see the test substance in the water samples could not be developed, a less than value of 9.12 μg/mL was reported from the experimental testing. Hence, it was not possible to determine the water solubility experimentally. The study was conducted as described in the Huntsman 2013 study .

The water solubility of HiMo LAB was estimated by using three quantitative structure activity relationship (QSAR) methods. EPI Suite estimated water solubility from fragments as 4.0074E-07 mg/L. ALOGPS estimated the water solubility as 4.96E-03 mg/L (ALOGpS) and 6.53E-03 mg/L (AC_logS), respectively. SPARC estimated the water solubility as 5.06E-10 mg/L.

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