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EC number: 950-170-3 | CAS number: -
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:
- The study was conducted between 01 November 2017 and 26 May 2018.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Identification: PG-RAW-0004
Appearance/physical state: clear, colorless liquid
Storage conditions: approximately 4 °C, in the dark - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 2.75 - <= 4.86
- Temp.:
- 30 °C
- pH:
- 5.9
- Details on results:
- Preliminary Estimate
The log10 Pow was calculated to be 3.76 for both major components identified by the Sponsor. - Conclusions:
- The partition coefficient of PG-RAW-004 has been determined to be in the range 566 to 7.31 x 10^4, log10 Pow 2.75 to 4.86. under OECD TG 117 (HPLC method) in compliance with GLP.
- Executive summary:
The partition coefficient of PG-RAW-004 has been determined to be in the range 566 to 7.31 x 104, log10 Pow 2.75 to 4.86. under OECD TG 117 (HPLC method) in compliance with GLP.
Reference
DefinitiveTest
Calibration
The retention times of the dead time and the retention times, capacity factors (k') and log10 Powvalues for the reference standards are shown in the following tables:
Dead time |
Retention Time (mins) |
Mean Retention Time (mins) |
|
Injection 1 |
Injection 2 |
||
Thiourea |
1.469 |
1.469 |
1.469 |
Standard |
Retention Time (mins) |
Capacity Factor (k') |
Log10k' |
Log10Pow |
||
Injection 1 |
Injection 2 |
Mean |
||||
2-Butanone |
1.663 |
1.656 |
1.660 |
0.1297 |
-0.8871 |
0.3 |
Benzyl alcohol |
1.793 |
1.793 |
1.793 |
0.2206 |
-0.6565 |
1.1 |
Benzene |
2.779 |
2.779 |
2.779 |
0.8918 |
-4.975 x 10-2 |
2.1 |
Toluene |
3.751 |
3.744 |
3.748 |
1.551 |
0.1906 |
2.7 |
Naphthalene |
4.889 |
4.889 |
4.889 |
2.328 |
0.3670 |
3.6 |
Phenanthrene |
10.526 |
10.555 |
10.541 |
6.175 |
0.7907 |
4.5 |
Triphenylamine |
35.309 |
35.359 |
35.334 |
23.05 |
1.363 |
5.7 |
Partition coefficient of sample
The retention times, capacity factor and log10Pow value determined for the sample are shown in the following table:
Peak Number |
Injection |
Retention Time (mins) |
Capacity Factor (k') |
Log10k' |
Log10Pow |
Mean |
1 |
1 |
3.391 |
1.308 |
0.1167 |
2.75 |
2.75 |
2 |
3.391 |
1.308 |
0.1167 |
2.75 |
||
2 |
1 |
10.476 |
6.131 |
0.7876 |
4.38 |
4.38 |
2 |
10.447 |
6.112 |
0.7862 |
4.38 |
||
3 |
1 |
13.162 |
7.960 |
0.9009 |
4.66 |
4.66 |
2 |
13.126 |
7.935 |
0.8996 |
4.65 |
||
4 |
1 |
15.170 |
9.327 |
0.9697 |
4.83 |
4.82 |
2 |
15.127 |
9.297 |
0.9684 |
4.82 |
||
5 |
1 |
15.718 |
9.700 |
0.9868 |
4.87 |
4.86 |
2 |
15.667 |
9.665 |
0.9852 |
4.86 |
Log10Powrange: 2.75
to 4.86
Partition coefficient: 566
to 7.31 x 104
Description of key information
The partition coefficient of PG-RAW-0004 has been determined to be in the range 566 to 7.31 x 104, log10 Pow 2.75 to 4.86 under OECD TG 117 (HPLC method) in compliance with GLP.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.86
- at the temperature of:
- 30 °C
Additional information
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
