Registration Dossier
Registration Dossier
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EC number: 866-600-7 | CAS number: 2173997-41-4
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:
- April to May 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- yes
- Remarks:
- Test item LogPow out of calibration domain (> 6.5)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- yes
- Remarks:
- Test item LogPow out of calibration domain (> 6.5)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 7.3
- Temp.:
- 35 °C
- Remarks on result:
- other: main peak ((representing 73.7% of relative area of HPLC chromatogram). LogPow is an indicative value (value out of calibration domain)
- Type:
- log Pow
- Partition coefficient:
- 3.8
- Temp.:
- 35 °C
- Remarks on result:
- other: minor peak ((representing 4.8% of relative area of HPLC chromatogram)
- Type:
- log Pow
- Partition coefficient:
- 7.2
- Temp.:
- 35 °C
- Remarks on result:
- other: 2 minor peaks ((representing 4.7% and 16.7% of relative area of HPLC chromatogram, respectively). LogPow is an indica-tive value (value out of calibration domain)
- Details on results:
- In the conditions of the test, the chromatograms of GR-87-0307 show four peaks at average retention times of 6.670 minutes (4.8% relative peak area), corresponding to a partition coefficient (log value) of 3.8; 48.500 minutes (4.7% relative peak area), corresponding to a partition coefficient (log value) of 7.2*; 50.113 minutes (16.7% relative peak area), corresponding to a partition coefficient (log value) of 7.2* and 52.967 minutes (73.7% relative peak area), corresponding to a partition coefficient (log value) of 7.3*.
Therefore:
Partition coefficients n-octanol/water of GR-87-0307:
log Pow = 7.3* (main peak)
log Pow = 3.8; 7.2* and 7.2* (minor peaks)
* indicative value, peak is outside calibration domain - Conclusions:
- Partition coefficients n-octanol/water of GR-87-0307:
log Pow = 7.3* (main peak)
log Pow = 3.8; 7.2* and 7.2* (minor peaks)
* indicative value, peak is outside calibration domain - Executive summary:
The Partition Coefficient n-octanol/water of GR-87-0307 was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 117.
The result is:
Partition coefficients n-octanol/water of GR-87-0307:
log Pow= 7.3* (main peak)
log Pow= 3.8; 7.2* and 7.2* (minor peaks)
* indicative value, peak is outside calibration domain
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- September 6 to September 11, 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- no
- GLP compliance:
- no
- Remarks:
- Non-GLP study performed, however, in the spirit of GLP procedures
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 7.3
- Temp.:
- 35 °C
- Remarks on result:
- other: for the main peak and one minor peak (representing 79.0% and 4.3% of relative area of HPLC chromatogram, respectively). LogPow is an indica-tive value (value out of calibration domain)
- Type:
- log Pow
- Partition coefficient:
- 3.8
- Temp.:
- 35 °C
- Remarks on result:
- other: minor peak (representing 11.1% of relative area of HPLC chromatogram)
- Type:
- log Pow
- Partition coefficient:
- 7.2
- Temp.:
- 35 °C
- Remarks on result:
- other: minor peak (representing 4.3% of relative area of HPLC chromatogram). LogPow is an indicative value (value out of calibration domain)
- Details on results:
- In the conditions of the test, the chromatograms of GR-87-0307 show four peaks at average retention times of 6.427 minutes (11.1% relative peak area), corresponding to a partition coefficient (log value) of 3.8; 43.400 minutes (5.6% relative peak area), corresponding to a partition coefficient (log value) of 7.2; 44.681 minutes (4.3% relative peak area), corresponding to a partition coefficient (log value) of 7.3; 46.019 minutes (79.0% relative peak area), corresponding to a partition coefficient (log value) of 7.3.
- Conclusions:
- Partition coefficients n-octanol/water of GR-87-0307:
log Pow = 3.8, 7.2*, 7.3* and 7.3*
*indicative values, peaks are outside calibration domain - Executive summary:
The partition coefficient n-octanol/water of GR-87 -0307 was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD guidelines for testing of chemicals, method no. 117.
The result is:
Partition coefficients n-octanol/water of GR-87-0307:
log Pow = 3.8, 7.2*, 7.3* and 7.3*
*indicative values, peaks are outside calibration domain
Referenceopen allclose all
The determination was performed at 35°C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.
The determination was performed at 35°C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.
Description of key information
Key study, OECD 117, GLP, 2018:
The Partition Coefficient n-octanol/water of GR-87-0307 was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 117.
The result is:
Partition coefficients n-octanol/water of GR-87-0307:
log Pow= 7.3* (main peak)
log Pow= 3.8; 7.2* and 7.2* (minor peaks)
* indicative value, peak is outside calibration domain
Supporting study, OECD 117, not GLP, 2017:
The partition coefficient n-octanol/water of GR-87 -0307 was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD guidelines for testing of chemicals, method no. 117.
The result is:
Partition coefficients n-octanol/water of GR-87-0307:
log Pow = 3.8, 7.2*, 7.3* and 7.3*
*indicative values, peaks are outside calibration domain
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 7.3
- at the temperature of:
- 35 °C
Additional information
The determination was performed at 35°C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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