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EC number: 601-101-8 | CAS number: 111497-86-0
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- July, 2007
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- other: Liquid Chromatography coupled with Mass Spectrometry
- Key result
- Remarks on result:
- other: The water solubility of the test substance could not be determined at room temperature due to its hydrolysis.
- Conclusions:
- Interpretation of results (migrated information): other: moderately soluble to solubleUnder the test conditions, the water solubility of the test substance could not be determined at room temperature due to its hydrolysis. However, the calculated value of water solubility for the theoretical reaction products displayed that TPGDA was moderately soluble, whereas the calculated value of water solubility for DEA was very soluble.
- Executive summary:
A study was conducted to determine the water solubility of the test substance according to OECD Guideline.
The substance is a tertiary amine derivative based on tripropylene glycol diacrylate (TPGDA) and diethyl amine (DEA). The water solubility could not be determined at room temperature due to its hydrolysis. An estimation was therefore made for theoretical reaction products between TPGDA and DEA, as well as for the hydrolysis product diethyl amino propionic acid.
The calculated value for the theoretical reaction product between TPGDA and DEA indicates that the substance is moderate soluble, whereas the calculated value for diethyl amino propionic acid suggests that it is very soluble (Parent R-A, 2007).
Reference
The water solubility was calculated from Log Pow or Log Kow due to the chemical structure of DEA-TPGDA-DEA (Eb P115) and DEA-AA (diethyl amino propionic acid).
Product | Water solubility | Water solubility estimation (WSKOW v1.41) | Water solubility estimation (WATERNT v1.01 est) | Water solubility estimation (ECOSAR v0.99h) |
DEA-TPGDA-DEA | hydrolysis | 124,25mg/l (25°C) | 6121,1mg/l (25°C) | 658,5mg/l (25°C) |
DEA-AA | No determined | 8,12. 104mg/l (25°C) | 5,83. 105mg/l (25°C) | 2,13. 107mg/l (25°C) |
Description of key information
Amine synergist is a tertiary amine derivative based on tripropylene glycol diacrylate (TPGDA) and diethyl amine (DEA).
The water solubility of amine synergist could not be determined at room temperature due to its hydrolysis. An estimation was therefore made for theoretical reaction products between TPGDA and DEA, as well as for the hydrolysis product diethyl amino propionic acid.
The calculated value for the theoretical reaction product between TPGDA and DEA indicates that amine synergist is moderate soluble, whereas the calculated value for diethyl amino propionic acid suggests that it is very soluble (Parent, 2007).
Key value for chemical safety assessment
- Water solubility:
- 100 mg/L
Additional information
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