Registration Dossier
Registration Dossier
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EC number: 629-850-6 | CAS number: 1245638-61-2
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study results are based on a QSAR analysis.
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- QSAR analysis using EPISUITE v4.11 (Wat Sol v1.01 est) of the constituent pentaerythritol triacrylate.
- GLP compliance:
- no
- Water solubility:
- 6 258.6 mg/L
- Remarks on result:
- other: for pentaerythritol triacrylate
- Conclusions:
- The water solubilty of pentaerythritol triacrylate is estimated at 6,258.6 mg/L.
- Executive summary:
The water solubilty of pentaerythritol triacrylate was determined using EPISUITE v4.11 (Wat Sol v1.01 est) based on structure. The water solubility was estimated to be 6,258.6 mg/L.
This value was selected for use in exposure assessment.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The study was conducted according to standard guidelines, not GLP.
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- not specified
- GLP compliance:
- no
- Key result
- Water solubility:
- 5 240 - 11 200 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: For PETIA, at room temperature, in MilliQ water
- Key result
- Water solubility:
- 520 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: For PETRA, at room temperature, in MilliQ water
- Conclusions:
- PETIA is a mixture of pentaerythritol triacrylate and pentaerythritol tetraacrylate components. The water solubility of pentaerythritol triacrylate was measured to be 5,240 - 11,200 mg/L (soluble), that of pentaerythritol tetraacrylate 520 mg/L (moderately soluble).
- Executive summary:
A study was conducted to determine analytically the water solubility of PETIA, as described in OECD guideline 105.
PETIA is a mixture of pentaerythritol triacrylate and pentaerythritol tetraacrylate components. The water solubility of pentaerythritol triacrylate was measured to be 5,240 - 11,200 mg/L (soluble), that of pentaerythritol tetraacrylate 520 mg/L (moderately soluble).
Referenceopen allclose all
None
Description of key information
The test substance is a UVCB with two main constituents, i.e. pentaerythritol triacrylate (PETIA) and pentaerythritol tetraacrylate (PETRA). The water solubility of PETIA was measured to be 5,240 - 11,200 mg/L (soluble), that of PETRA 520 mg/L (moderately soluble) (Godts and Vandervorst, 2007). An estimation of the water solubility of pentaerythritol triacrylate, the most soluble constituent, was further made using QSAR. A value of 6258.6 mg/L was obtained, and this was used for exposure assessment because of the wide range of experimental values.
Key value for chemical safety assessment
- Water solubility:
- 6 258.6 mg/L
Additional information
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