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Water solubility

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Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
April 18, 2016 - June 7, 2016
Reliability:
1 (reliable without restriction)
Qualifier:
according to
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
GLP compliance:
yes
Type of method:
other: Water-Accomodated Fraction Methods
Key result
Water solubility:
< 1.39 mg/L
Temp.:
22 °C
pH:
ca. 8.01
Details on results:
Mean measured test substance concentrations in samples processed from the treated test vessel stirred and equilibrated at 22°C for 24, 48, and 72 hours were all less than the LOQ (1.39 mg/L). With replicate determinations at
The pH of the dilution water used to prepare the test system vessels was 8.01 at 22°C. The measured pH of an aliquot from the treated test vessel stirred and equilibrated at 22°C for 24, 48, and 72 hours was 8.32, 8.28, and 8.28 respectively. The measured pH of an aliquot from negative control stirred and equilibrated at 22°C for 24, 48, and 72 hours was 8.28, 8.31, and 8.32 respectively.

Water Solubility of EXP1505385 at 22°C

 

Sample

Number

(523C-210,222-)

Sampling Interval

(hrs)

Concentrations of the Test Substance

 

Nominal

(mg/mL)

Measured5

(mg C/L)

Background1,5,6

Corrected Result

(mg C/L)

Analytical2,5,6Result

(mg/L)

Mean Analytical Result4

(mg/L)

%3Difference

V3-24-1

24

0.0500

(0.8953)

(0.159)

(0.221)

<LOQ

 

V3-24-2

24

0.0500

(0.8714)

(0.135)

(0.188)

N/A

V3-24-3

24

0.0500

(0.8187)

(0.0825)

(0.115)

 

V3-48-1

48

0.0500

(0.9579)

(0.222)

(0.308)

<LOQ

 

V3-48-2

48

0.0500

1.044

(0.308)

(0.428)

N/A

V3-48-3

48

0.0500

(0.6544)

(-0.0818)

(-0.114)

 

V3-72-2

72

0.0500

(0.8469)

(0.111)

(0.154)

<LOQ

N/A

V3-72-3

72

0.0500

(0.8509)

(0.115)

(0.159)

Overall Mean (24, 48, and 72 hrs)

Standard Deviation

CV

<LOQ

N/A

N/A

 

 

1Background Corrected Result (mg C/L) = Measured Result (mg C/L) – Overall Mean of the Negative Control samples (0.736 mg C/L).

2Analytical Result (mg/L) = Background Corrected Result (mg C/L) / %C in Test Substance (71.9%) x 100.

3 % Difference is calculated as absolute value of the difference between two mean results for two consecutive sampling intervals divided by the mean of the results for the two intervals. Because the analytical results were less than LOQ, the percent difference could not be calculated.

4The method limit of quantitation (LOQ) for EXP1505385 in well water was 1.39 mg/L, calculated as the concentration of the lowest level calibration standard (1.00 mg C/L) divided by the wt %C in the test substance (71.9%).

5Results in parentheses are extrapolated values, below the LOQ for the analytical method.

6Results were generated using Microsoft®Excel 2010 in full precision mode. Manual calculations may differ.

Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The water solubility of EXP1505385 in well water at 22 ºC was determined using the slow stir method. Solubility samples were collected, filtered, acidified and analyzed for TOC content. The mean water solubility (n = 8) was determined to be <1.39 mg/L.
Executive summary:

The study was performed based in part on procedures in the U.S. EPA Product Properties Test Guidelines,OPPTS 830.7840,Water Solubility: Column Elution Method; Shake Flask Method and OECD Guideline for the Testing of Chemicals, 105: Water Solubility. The experimental portion of the definitive study was conducted between April 18, 2016 and April 22, 2016.

The water solubility of EXP1505385 in well water at 22 ºC was determined using the slow stir method. Solubility samples were collected, filtered, acidified and analyzed for TOC content. The mean water solubility (n = 8) was determined to be

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
15 February 2000 - 16 February 2000
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
GLP compliance:
yes
Type of method:
column elution method
Specific details on test material used for the study:
The neat test substance was stored at room temperature.
Key result
Water solubility:
ca. 0 g/L
Conc. based on:
test mat. (total fraction)
Temp.:
20 °C
pH:
> 4.5 - < 5.8
Details on results:
Results of the two water solubility micro-column runs are listed in Table 1. In the first run with a column flow of 0.51 mL/min, the water solubility is calculated from fractions five through nine, which yield a mean of 0.0462 µg/mL with a standard deviation of 0.0103 µg/mL and RSD of 22.3%. In the second run with a flow of 0.26 mL/min, fractions two through six appear to be at the saturation plateau and result in a mean of 0.0324 µg/mL, standard deviation of 0.0034 µg/mL and RSD of 10.5%. The overall mean water solubility reported is 0.0393 µg/mL (4 x 10-5 g/L). Though the means differ by only 0.0138 µg/mL, this corresponds to a difference of just under 30% due to the very low absolute concentrations measured.

See attached background documents

Conclusions:
The measured water solubility of the Substance was determined to be 0.04 mg/L (4 x 10-5 g/L) at 20°C.
Executive summary:

The water solubility of the Substance was determined using the procedures outlined in the Organization for Economic Cooperation and Development Guideline for testing of Chemicals 105, "Water Solubility, Column Elution Method" and European Economic Community Annex V, A.6 "Water Solubility". The water solubility of a substance is a critical parameter required for hazard assessment.

The measured water solubility of the Substance was determined to be 0.04 mg/L (4 x 10 -5 g/L) at 20°C.

Description of key information

 Two studies were performed on the registered substance. The water solubility is considered to be was determined to be 0.04 mg/L (4 x 10-5g/L) at 20°C 

Key value for chemical safety assessment

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

Additional information