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EC number: 701-259-9 | CAS number: -
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 5 August 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- according to guideline
- Guideline:
- other: Estimate from fragments
- Principles of method if other than guideline:
- Calculated using EPIsuite (Estimate from fragments, Wat sol v1.01 est).
- GLP compliance:
- no
- Type of method:
- other: EPIsuite Calculation
- Key result
- Water solubility:
- < 0.592 µg/L
- Temp.:
- 20 °C
- pH:
- ca. 7
- Details on results:
- The water solubility of the three main components of V3000 (comprising >50% of V3000) has been calculated to be 0.9.92x10-4 µg/L (C18:1), 0.00218 µg/L (C18:2), and 0.0048 µg/L (C18:3). To estimate a range for the water solubility, further estimates were made for C12 (saturated) 2-ethylhexyl ester (calculated to be 0.5919 µg/L) and C20 (saturated) 2-ethylhexyl ester (calculated to be 4.25x10-4 µg/L).
- Conclusions:
- The water solubility of the three main components of V3000 (comprising >50% of V3000) has been calculated to be 0.9.92x10-4 µg/L (C18:1), 0.00218 µg/L (C18:2), and 0.0048 µg/L (C18:3). To estimate a range for the water solubility, further estimates were made for C12 (saturated) 2-ethylhexyl ester (calculated to be 0.5919 µg/L) and C20 (saturated) 2-ethylhexyl ester (calculated to be 4.25x10-4 µg/L). The water solubility of V3000 is therefore <0.592 µg/L and is considered to be insoluble (<0.1 mg/L).
- Executive summary:
The water solubility of the three main components of V3000 (comprising >50% of V3000) has been calculated to be 0.9.92x10-4 µg/L (C18:1), 0.00218 µg/L (C18:2), and 0.0048 µg/L (C18:3). To estimate a range for the water solubility, further estimates were made for C12 (saturated) 2-ethylhexyl ester (calculated to be 0.5919 µg/L) and C20 (saturated) 2-ethylhexyl ester (calculated to be 4.25x10-4 µg/L). The water solubility of V3000 is therefore <0.592 µg/L and is considered to be insoluble (<0.1 mg/L).
Due to this very low solubility, an experimental study is not considered needed.
Reference
Description of key information
The water solubility of the three main components of V3000 (comprising >50% of V3000) has been calculated to be 0.9.92x10-4 µg/L (C18:1), 0.00218 µg/L (C18:2), and 0.0048 µg/L (C18:3). To estimate a range for the water solubility, further estimates were made for C12 (saturated) 2-ethylhexyl ester (calculated to be 0.5919 µg/L) and C20 (saturated) 2-ethylhexyl ester (calculated to be 4.25x10-4 µg/L). The water solubility of V3000 is therefore <0.592 µg/L and is considered to be insoluble (<0.1 mg/L).
Due to this very low water solubility, an experimental study is not considered needed.
Key value for chemical safety assessment
- Water solubility:
- 0.592 µg/L
- at the temperature of:
- 20 °C
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