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EC number: 235-719-0 | CAS number: 12609-95-9
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- The water solubility of the reference substance was estimated from the Log Kow using WSKOW (v1.42), EPI suite (v4.11) and using WATERNET (v1.01), EPI suite (v4.11)
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR
- Version / remarks:
- The water solubility of the reference substance was estimated from the Log Kow using WSKOW (v1.42), EPI suite (v4.11) and using WATERNET (v1.01), EPI suite (v4.11)
- Principles of method if other than guideline:
- The water solubility of the reference substance was estimated from the Log Kow using WSKOW (v1.42), EPI suite (v4.11) and using WATERNET (v1.01), EPI suite (v4.11)
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Key result
- Water solubility:
- 0.002 mg/L
- Conc. based on:
- other: QSAR
- Temp.:
- 25 °C
- Remarks on result:
- other: From Log Kow using WSKOW (v1.42), EPI suite (V4.11)
- Key result
- Water solubility:
- 0 mg/L
- Conc. based on:
- other: QSAR
- Temp.:
- 25 °C
- Remarks on result:
- other: Estimated using WATERNET (v1.01), EPI suite (v4.11)
- Conclusions:
- The water solubility of 1,1"-isopropylidenediferrocene was estimated to be 0.001785 mg/l and 0.00033863 mg/L at 25 degrees C.
- Executive summary:
The water solubility of 1,1"-isopropylidenediferrocene was estimated from the Log Kow using WSKOW (v1.42), EPI suite (v4.11) and using WATERNET (v1.01), EPI suite (v4.11).
The study was assigned a reliability score of 2 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).
The water solubility of 1,1"-isopropylidenediferrocene was estimated to be 0.001785 mg/l at 25 degrees C [from the Log Kow using WSKOW (v1.42), EPI suite (v4.11)]
and 0.00033863 mg/L at 25 degrees C [using WATERNET (v1.01), EPI suite (v4.11).
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- GLP compliance:
- yes
- Type of method:
- column elution method
- Water solubility:
- < 1 mg/L
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other:
- Remarks:
- Solubility is < 1 mg/L and below the limit of detection of the HPLC.
Referenceopen allclose all
Description of key information
The water solubility of 1,1"-isopropylidenediferrocene was investigated using the column elution method, however, during the preliminary estimation the sample was visible after shaking. The solution was left for over 4 hours and the sample remained insoluble in water. Therefore the solubility of 1,1"-isopropylidenediferrocene is < 1 mg/L and considered to be below the limit of detection of the HPLC.
The water solubility of 1,1"-isopropylidenediferrocene was estimated from the Log Kow using WSKOW (v1.42), EPI suite (v4.11) and using WATERNET (v1.01), EPI suite (v4.11).
The study was assigned a reliability score of 2 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).
The water solubility of 1,1"-isopropylidenediferrocene was estimated to be 0.001785 mg/l at 25 degrees C [from the Log Kow using WSKOW (v1.42), EPI suite (v4.11)]
and 0.00033863 mg/L at 25 degrees C [using WATERNET (v1.01), EPI suite (v4.11)].
Key value for chemical safety assessment
- Water solubility:
- 0 mg/L
- at the temperature of:
- 25 °C
Additional information
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