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EC number: 629-661-9 | CAS number: 83834-59-7
Water solubility
Administrative data
Link to relevant study record(s)
- 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
- 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
- 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.
Referenceopen allclose all
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.
Table 1: Individual results for water solubility in demin. water
| 1st column | 2nd column | 1st column (reduced flow) | 2nd column (reduced flow) | |||||
| Fraction | concentration of test item [µg/L] | pH | concentration of test item [µg/L] | pH | concentration of test item [µg/L] | pH | concentration of test item [µg/L] | pH |
| 1 | 740.6* | 6.4 | 40.1* | 6.7 | 42.4 | 6.8 | 56.6 | 6.5 |
| 2 | 668.2* | 6.7 | 85.6* | 6.6 | 48.4 | 6.7 | 54.0 | 6.4 |
| 3 | 988.2* | 6.7 | 54.4* | 6.6 | 49.7 | 6.7 | 50.9 | 6.5 |
| 4 | 141.2* | 6.9 | 61.1* | 6.6 | 44.6 | 6.9 | 48.6 | 6.8 |
| 5 | 152.0* | 6.2 | 54.3 | 6.5 | 45.8 | 6.7 | 55.5 | 6.5 |
| 6 | 55.0* | 6.9 | 55.0 | 6.6 | 55.1 | 6.9 | 52.9 | 6.5 |
| 7 | 57.5 | 6.8 | 47.8 | 6.8 | 42.9 | 6.3 | 52.4 | 6.7 |
| 8 | 113.6* | 7.2 | 53.1 | 6.8 | 42.7 | 6.8 | 53.1 | 6.5 |
| 9 | 52.1 | 6.7 | 55.9 | 7.0 | 53.2 | 6.4 | 62.1 | 6.4 |
| 10 | 47.6 | 6.7 | 50.3 | 6.9 | ||||
| 11 | 51.1 | 6.6 | 49.6 | 6.6 | ||||
| 12 | 49.7 | 7.2 | 53.8 | 6.9 | ||||
| 13 | 51.2 | 6.7 | 50.1 | 6.6 | ||||
| 14 | 48.8 | 6.5 | 59.2 | 6.7 | ||||
| 15 | 42.4 | 6.5 | 56.1 | 6.7 | ||||
| Demin. water used | 6.7 | - | 6.7 | - | ||||
| Mean | 49 ± 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 column | 2nd column | 1st column (reduced flow) | 2nd column (reduced flow) | |||||
| Fraction | concentration of test item [µg/L] | pH | concentration of test item [µg/L] | pH | concentration of test item [µg/L] | pH | concentration of test item [µg/L] | pH |
| 1 | 39.9* | 8.1 | 46.9* | 8.2 | 38.4 | 8.0 | 48.8 | 8.2 |
| 2 | 39.3 | 8.1 | 57.8 | 8.3 | 40.2 | 8.1 | 46.9 | 8.1 |
| 3 | 38.2 | 8.1 | 53.6 | 8.3 | 39.3 | 8.1 | 50.1 | 8.2 |
| 4 | 39.5 | 8.1 | 60.3 | 8.2 | 37.4 | 8.1 | 53.1 | 8.2 |
| 5 | 38.1 | 8.1 | 52.3 | 8.3 | 40.4 | 8.1 | 48.2 | 8.2 |
| 6 | 41.5 | 8.1 | 63.1 | 8.3 | 36.2 | 8.1 | 49.2 | 8.2 |
| 7 | 37.7 | 8.1 | 59.4 | 8.3 | -** | 8.1 | -** | 8.2 |
| 8 | 39.2 | 8.1 | 60.0 | 8.3 | 40.1 | 8.1 | 46.9 | 8.4 |
| 9 | 43.5 | 8.1 | 62.0 | 8.3 | 31.5 | 8.1 | 48.3 | 8.2 |
| 10 | 38.3 | 8.1 | 55.7 | 8.3 | 33.3 | 8.1 | 45.7 | 8.2 |
| 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 column | 2nd column | 1st column (reduced flow) | 2nd column (reduced flow) | |||||
| Fraction | concentration of test item [µg/L] | pH | concentration of test item [µg/L] | pH | concentration of test item [µg/L] | pH | concentration of test item [µg/L] | pH |
| 1 | -** | 8.5 | 54.8 | 8.4 | 35.4* | 8.5 | 52.7 | 8.5 |
| 2 | 44.3 | 8.5 | 50.0 | 8.4 | 47.0 | 8.5 | 51.3 | 8.5 |
| 3 | 38.1 | 8.5 | 48.9 | 8.5 | 41.3 | 8.5 | 53.1 | 8.5 |
| 4 | 37.5 | 8.5 | 53.0 | 8.5 | 46.1 | 8.4 | 54.5 | 8.6 |
| 5 | 40.9 | 8.5 | 48.3 | 8.4 | 44.4 | 8.5 | 52.4 | 8.6 |
| 6 | 36.2 | 8.5 | 51.9 | 8.5 | 44.2 | 8.4 | 54.6 | 8.5 |
| 7 | 46.2 | 8.5 | 57.4 | 8.3 | 42.5 | 8.5 | 52.1 | 8.5 |
| 8 | 44.0 | 8.5 | 51.9 | 8.4 | 42.4 | 8.4 | 52.8 | 8.5 |
| 9 | 44.4 | 8.5 | 59.0 | 8.4 | 48.4 | 8.4 | 54.4 | 8.5 |
| 10 | 41.5 | 8.5 | 55.2 | 8.4 | 47.2 | 8.4 | 51.6 | 8.5 |
| Water used | 7.8 | - | 7.8 | - | ||||
| Mean | 41 ± 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.
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.
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