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Physical & Chemical properties

Water solubility

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Link to relevant study record(s)

Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
02 May 1990 to 16 Jul 1990
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
1981
Qualifier:
according to guideline
Guideline:
other: US Federal Register 40 CFR part 796.1840
Version / remarks:
1985
GLP compliance:
yes
Type of method:
flask method
Water solubility:
32 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
pH:
5
Key result
Water solubility:
815 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
pH:
7
Water solubility:
13 500 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
pH:
8.4

Tests with phosphate buffer solution (pH 7.00)


















































































 


sample number



 


1



 


4



 


7



 


mg of test substance dispersed in 70.00 mL buffer solution



 


65.7



 


553



58.7



number of days at 30.0°C



3



2



1



nwnber of days at 25.0 °C



1



1



1



Centifugation [G]



30,000



30,000



30,000



pH of clear solution



6.96



6.97



6.97



average pH value



pH: 7.0



water solubility found [mg/L]:



 



 



 



1. determination



887



768



746



2. determination



886



769



747



average



886



768



747



 


total average



801 mg/L



 


rel. standard deviation



8.4%



 



 



 


Tests with phosphate buffer solution (PH 7.00) (continued)














































































sample number



 


2



 


5



 


8



mg of test substance dispersed in 70.00 mL buffer solution



62.7



683



61.4



number of days at 30.0°C



3



2



1



number of days at 25.0 °C



1



1



1



Centifugation [G]



40,000



40,000



40,000



pH of clear solution



6.96



6.96



6.97



average pH value



pH: 7.0



water solubility found [mg/L]:


 



 



 



 



1. determination



 


846



 


899



 


781



2. determination



844



900



778



average



845



899



780



 


total average



 


841 mg/L



 


rel. standard deviation



 


6.4%



 


Tests with phosphate buffer solution ( pH 7.00) (continued)














































































sample number



3



6



9



mg of test substance dispersed in 70.00 mL buffer solution



56.0



61.0



60.0



number of days at 30.0°C



3



2



1



number of days at 25.0 °C



1



1



1



Centifugatiori [G]



50,000



50,000



50,000



pH of clear solution



6.96



6.96



6.97



average pH value



pH:7.0



water solubility found [mg/L]:



 



 



 



1. determination



784



843



784



2. determination



785



842



781



average



785



842



782



total average



803 mg/L



rel. standard deviation



3.8 %



 


Tests with phthalate buffer solution (pH 5.00)














































































sample number



1



2



3



mg of test substance dispersed in 70.00 mL buffer solution



35.0



34.3



36.2



number of days at 30.0°C



3



2



1



number of days at 25.0 °C



1



1



1



Centifugation [G]



50,000



50,000



50,000



pH of clear solution



5.05



5.05



5.03



average pH value



pH: 5.0



water solubility found [mg/L]:



 



 



 



1. determination



30.3



34.8



31.6



2. determination



30.8



33.0



32.8



average



30.6



33.9



32.2



total average



32 mg/L



 


rel. standard deviation



5.1 %



 


Tests with borax buffer solution (pH 9.00)




















































































sample number



C1/1



C1/2



C1/3



mg of test substance


dispersed  in 10 mL buffer solution


 



206.1



201.5



204.5



number of days at 30.0°C



8



7



6



number of days at 25.0 °C



1



1



1



Centifugation [G] -



50,000



50,000



50,000



pH of clear solution



8.42



8.43



8.43



average pH value



pH: 8.4



water solubility



 



 



 



found [mg/L]:



 



 



 



1. determination



14,840



13,430



12,220



2. determination



14,830



13,440



12,220



average



14,830



-13,440



12,220



total average



13.500 mg/L



rel. standard deviation



8.7 %



 

Conclusions:
The solubility of the pure active ingredient in water containing three different buffers was determined to be: 32 mg/L at pH 5.0 and 25°C; 815 mg/L at pH 7.0 and 25°C; 13500 mg/L at pH 8.4 and 25°C.
Executive summary:

The water solubility of the test substance was determined using the flask method combined with HPLC according to OECD TG 105 following GLP principles. The solubility of the pure active ingredient in water containing three different buffers 25°C was determined to be: 32 mg/L at pH 5.0; 815 mg/L at pH 7.0 and 13500 mg/L at pH 8.4.

Description of key information

Water solubility: 32 mg/L at pH 5.0 and 25°C; 815 mg/L at pH 7.0 and 25°C; 13500 mg/L at pH 8.4 and 25°C, OECD TG 105, flask method, Birk 1990

Key value for chemical safety assessment

Water solubility:
815 mg/L
at the temperature of:
25 °C

Additional information