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EC number: 241-221-4 | CAS number: 17169-60-7
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2021-01-25 to 2021-03-15xxx
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- 2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- -3.8
- Temp.:
- 21 °C
- Remarks on result:
- other: pH was not reported
- Conclusions:
- The partition coefficient log POW of the test item Ferrous monoglycinate sulfate could be estimated from the preliminary test of the 1-octanol solubility and the water solubility, according to Regulation (EC) No. 440/2008 method A.8., Commission Regulation (EU) No 2016/266 Method A.24. and OECD Test Guidelines 107 (1995) and 117 (2004) to be:
log P OW < -3.8 - Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- comparison of measured logPow values with the respective values calculated by QSAR.
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- -3.21
- Temp.:
- 25 °C
- Remarks on result:
- other: pH was not reported
- Conclusions:
- According to the published results from Hansch et al. 1995, who compared the measured logPow values with the respective values calculated with QSAR the logPow of glycine is -3.21 at 25°C.
- Executive summary:
The partition coefficient of ferrous monoglycinate sulfate was calculated with the QSAR estimation program EPISuite. The programm found a match for published data. In the study of Hansch et al. 1995, the logKow values of different substances were calculated with QSAR and subsequently measured for comparison. The log Kow of glycine was determined to be -3.21 a 25 °C.
Referenceopen allclose all
Table 1: Preliminary test for the estimation of the 1-octanol solubility
Amount of test item [mg] | Total volume of added octanol [mL] | Stirring time at RT [h:min] | Remark |
11.23 | 5 | 0:35 | not dissolved |
15 | 1:10 | not dissolved | |
40 | 0:35 | not dissolved | |
65 | 0:50 | not dissolved | |
115 | 0:40 | not dissolved | |
165 | 87:55 | not dissolved |
According to this preliminary test the solubility of the test item in 1-octanol was estimated to be < 68.1 mg/L at a temperature of approx. 21 °C.
With the values of the estimated 1-octanol solubility and the water solubility of 480 g/L , the partition coefficient (log POW ) of the test item can be estimated to be below -3.8.
Description of key information
According to the published results from Hansch et al. 1995, who compared the measured logPow values with the respective values calculated with QSAR the logPow of glycine is -3.21 at 25°C.
Preliminary study conducted according to EU Method A.8 and OECD guideline 107 (flask method), Based on water solubility and estimated values for 1-octanol solubility the LogKow was calculated to be < -3.8 for ferrous monoglycinate sulfate.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -3.8
- at the temperature of:
- 21 °C
Additional information
There is one preliminary study conducted according to OECD guideline 107 and EU Method A.8 for the test item ferrous monoglycinate sulfate. The logKow was calculated based on the water solubility and the estimated 1-octanol solubility for the test item. The logKow was determined to be < -3.8. Additionally an estimation for the logPow of the counter-ion was performed because the partition coefficient does not need to be established for inorganic ions. The logPow of the test item was considered to be lower than the logPow of glycine alone based on the ionic structure.The logKow of glycine was determined at -3.21. Based on these results the QSAR estimation for the partition coefficient for glycine substantiates this hypothesis which was evidenced by the results of the present test.
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