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Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
GLP guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
GLP compliance:
yes
Type of method:
column elution method
Key result
Water solubility:
0.041 mg/L
Temp.:
24 °C
pH:
7.1
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
09/02/2000 - 11/05/2000
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
Study according to international guideline (OECD Guideline 105) under GLP conditions, validity criteria met.
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Key result
Water solubility:
>= 0.22 - <= 0.75 mg/L
Temp.:
21 °C
pH:
>= 7.2 - <= 7.6

The 24-, 48- and 72 -hour measurements were not in agreement. Therefore, the water solubility test was prolonged with 96 hours. The 120-, 144- and 168-hour measurements were not in agreement. Therefore, the water solubility test was prolonged to 12, 13 or 14 days of stirring. The 12-, 13- and 14-days measurements were not in agreement. Therefore, the water solubility of 2-ethylhexyl 4-methoxycinnamate is reported as a range based on all measurements. In conclusion, the water solubility of 2 -ethylhexyl 4-methoxycinnamateat 21.0 ± 1.0 °C is between 0.22 and 0.75 mg/L, using the flask method.

Conclusions:
The water solubility of 2-Ethylhexyl 4-methoxycinnamate was investigated according to OECD Guideline 105 and was found to be 0.22 - 0.75 mg/l at 21 °C using the flask method.
Executive summary:

Water solubility of 2-Ethylhexyl 4-methoxycinnamate was investigated according to OECD Guideline 105 (flask method) under GLP conditions. The 24-, 48- and 72-hour measurements were not in agreement. Therefore, the water solubility test was prolonged with 96 hours. The 120-, 144- and 168-hour measurements were not in agreement. Therefore, the water solubility test was prolonged to 12, 13 or 14 days of stirring. The 12-, 13- and 14-days measurements were not in agreement. Therefore, the water solubility of 2-Ethylhexyl 4-methoxycinnamate was reported as a range based on all measurements. In conclusion, the water solubility of 2-Ethylhexyl 4-methoxycinnamate at 21.0 ± 1.0 °C is between 0.22 and 0.75 mg/L, using the flask method.

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2018-05-24 to 2018-07-20
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
not specified
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Other quality assurance:
ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
Type of method:
column elution method
Specific details on test material used for the study:
- Common name: 2-ethylhexyl trans-4-methoxy cinnamate
- IUPAC Name: 2-Ethylhexyl trans-4-methoxycinnamate
- CAS no.: 83834-59-7
Key result
Water solubility:
51 µg/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
6.7
Key result
Water solubility:
46 µg/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
7.9
Key result
Water solubility:
48 µg/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
7.8

Table 1: Individual results for water solubility in demin. water






















































































































































































































 1st column2nd column1st column (reduced flow)2nd column (reduced flow)
Fractionconcentration of test item [µg/L]pHconcentration of test item [µg/L]pHconcentration of test item [µg/L]pHconcentration of test item [µg/L]pH
1740.6*6.440.1*6.742.46.856.66.5
2668.2*6.785.6*6.648.46.754.06.4
3988.2*6.754.4*6.649.76.750.96.5
4141.2*6.961.1*6.644.66.948.66.8
5152.0*6.254.36.545.86.755.56.5
655.0*6.955.06.655.16.952.96.5
757.56.847.86.842.96.352.46.7
8113.6*7.253.16.842.76.853.16.5
952.16.755.97.053.26.462.16.4
1047.66.750.36.9    
1151.16.649.66.6    
1249.77.253.86.9    
1351.26.750.16.6    
1448.86.559.26.7    
1542.46.556.16.7    
Demin. water used 6.7 - 6.7 

-


Mean49 ± 3 53 ± 3 47 ± 5 54 ± 4 
 Mean (total) 51 ua/L ± 5 ua/L

Remark: All results are calculated with not rounded values.
* not used for calculation because equili bration time not sufficient.


 


Table 2: Individual results for M4 medium































































































































































 1st column2nd column1st column (reduced flow)2nd column (reduced flow)
Fractionconcentration of test item [µg/L]pHconcentration of test item [µg/L]pHconcentration of test item [µg/L]pHconcentration of test item [µg/L]pH
139.9*8.146.9*8.238.48.048.88.2
239.38.157.88.340.28.146.98.1
338.28.153.68.339.38.150.18.2
439.58.160.38.237.48.153.18.2
538.18.152.38.340.48.148.28.2
641.58.163.18.336.28.149.28.2
737.78.159.48.3-**8.1-**8.2
839.28.160.08.340.18.146.98.4
943.58.162.08.331.58.148.38.2
1038.38.155.78.333.38.145.78.2
M4 water used 7.9 - 7.9 -
Mean 39 ± 2 58 ± 4 37 ± 3 49 ± 2 
 Mean (total) 46 μg/L + 9 ua/L

Rernark: All results are calculated with not rounded values.
* not used for calculation because equilibration time not sufficient ** injection failed


 


Table 3: Individual results for Lemna medium































































































































































 1st column2nd column1st column (reduced flow)2nd column (reduced flow)
Fractionconcentration of test item [µg/L]pHconcentration of test item [µg/L]pHconcentration of test item [µg/L]pHconcentration of test item [µg/L]pH
1-**8.554.88.435.4*8.552.78.5
244.38.550.08.447.08.551.38.5
338.18.548.98.541.38.553.18.5
437.58.553.08.546.18.454.58.6
540.98.548.38.444.48.552.48.6
636.28.551.98.544.28.454.68.5
746.28.557.48.342.58.552.18.5
844.08.551.98.442.48.452.88.5
944.48.559.08.448.48.454.48.5
1041.58.555.28.447.28.451.68.5
Water used 7.8 - 7.8 -
Mean41 ± 4 53 ±4 45 ± 2 53 ± 1 
 Mean (total) 48 ua/L ± 6 μg/L

Remark: All results are calculated with not rounded values.
* not used for calculation because equilibration time not sufficient. ** injection failed.

Conclusions:
The water solubility of the test item in demin. water is 51 μg/L ± 5 μg/L at T = 20.0 °C ± 0.5 °C. The water solubility of the test item in M4-water is 46 μg/L ± 9 μg/L at T = 20.0 °C ± 0.5 °C. The water solubility of the test item in Lemna-medium is 48 μg/L ± 6 μg/L at T = 20.0 °C ± 0.5 °C.
Executive summary:

The water solubility of the test item was investigated in three different media, demineralised water, M4 medium and Lemna medium, using the column elution method according to OECD TG 105 (HPLC system with UV/VIS detector). For test run with demin. water 0.5091 g of test item were dissolved in 50 mL dichloromethane and mixed with 26.86 g of quartz. After evaporation (400 mbar, 40 °C) of the solvent, approximately 10 g ( 11 .1173 g for column 1 and 10.7501 g for column 2) of the loaded silica were filled each into a column. For test run with M4 medium 0.55365 g of test item were dissolved in 50 mL dichloromethane and mixed with 27.24 g of quartz. After evaporation (400 mbar, 40 °C) of the solvent, approximately 10 g (13.1902 g for column 1 and 10.0825 g for column 2) of the loaded silica were filled each into a column.  For test run with Lemna medium 0.54480 g of test item were dissolved in 50 mL dichloromethane and mixed with 26.16 g of quartz. After evaporation (400 mbar, 40 °C) of the solvent, approximately 10 g (11 .27753 g for column 1 and 11.05289 g for column 2) of the loaded silica were filled each into a column. As a result, rhe water solubility of the test item in demin. water was determined to be 51 μg/L ± 5 μg/L at T = 20.0 °C ± 0.5 °C. The water solubility of the test item in M4-water was 46 μg/L ± 9 μg/L at T = 20.0 °C ± 0.5 °c. The water solubility of the test item in Lemna-medium was found to be 48 μg/L ± 6 μg/L at T = 20.0 °C ± 0.5 °C.

Description of key information

The water solubility of the test item in demin. water is 51 μg/L ± 5 μg/L at T = 20.0 °C ± 0.5 °C. 

Key value for chemical safety assessment

Water solubility:
51 µg/L
at the temperature of:
20 °C

Additional information

Three guideline compliant studies on the water solubility of the substance are available.

 

Key information

The water solubility of the test item was investigated in three different media, demineralised water, M4 medium and Lemna medium, using the column elution method according to OECD TG 105 (HPLC system with UV/VIS detector). For test run with demin. water 0.5091 g of test item were dissolved in 50 mL dichloromethane and mixed with 26.86 g of quartz. After evaporation (400 mbar, 40 °C) of the solvent, approximately 10 g ( 11 .1173 g for column 1 and 10.7501 g for column 2) of the loaded silica were filled each into a column. For test run with M4 medium 0.55365 g of test item were dissolved in 50 mL dichloromethane and mixed with 27.24 g of quartz. After evaporation (400 mbar, 40 °C) of the solvent, approximately 10 g (13.1902 g for column 1 and 10.0825 g for column 2) of the loaded silica were filled each into a column.  For test run with Lemna medium 0.54480 g of test item were dissolved in 50 mL dichloromethane and mixed with 26.16 g of quartz. After evaporation (400 mbar, 40 °C) of the solvent, approximately 10 g (11 .27753 g for column 1 and 11.05289 g for column 2) of the loaded silica were filled each into a column. As a result, the water solubility of the substance in demin. water was determined to be 51 μg/L ± 5 μg/L at T = 20.0 °C ± 0.5 °C. The water solubility of the test item in M4-water was 46 μg/L ± 9 μg/L at T = 20.0 °C ± 0.5 °c. The water solubility of the test item in Lemna-medium was found to be 48 μg/L ± 6 μg/L at T = 20.0 °C ± 0.5 °C (BASF SE, 2018).

 

Supporting information

In addition, the water solubility of Ethylhexyl Methoxycinnamate was determined in accordance qith OECD TG 105 to be 0.22 - 0.75 mg/L at 21 °C (Brekelmans, 2000).

In another study according to EU Method A.6 (BASF AG, 1997) the water solubility of the substance was assessed to be 0.041 mg/L at 24 °C and pH 7.1.

 

Conclusion

All available studies were performed according to international guidelines under GLP. The measured water solubility of the substance ranged between  48 µg/L and 0.75 mg mg/L. Based on the most current and reliable information (BASF SE, 2018) the water solubility of the substance is considered to be 51 µg/L at 20 °C.