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EC number: 814-345-7 | CAS number: 2003244-43-5
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 08 March 2016 and 29 April 2016.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- The study is considered to be a reliability 1 as it has been conducted according to OECD Test Guideline 117 using the HPLC method and in compliance with GLP.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 13 April 2004
- 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: ES421 Pinyl Nitrile
SOURCE OF TEST MATERIAL
- Appearance/physical state: white solid
- Source and lot/batch No.of test material: SM15077102
- Expiration date of the lot/batch: 22 July 2016
- Purity: 98.08%
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: approximately 4 °C, in the dark - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.35
- Temp.:
- 30 °C
- pH:
- 7
- Details on results:
- 1. Preliminary estimate
A log Kow of 4.6528 was estimated for ES421 Pinyl Nitrile in the KOWWIN calculation.
2. Definitive test
Calibration
The retention times of the dead time and the retention times, capacity factors and log10 Pow values for the reference standards are shown under 'Any other information on results incl. tables'.
Partition coefficient of sample
The retention times, capacity factor and log10 Pow value determined for the sample are shown under 'Any other information on results incl. tables'. - Conclusions:
- The partition coefficient of the test item, ES421 Pinyl Nitrile, has been determined to be 2.23 x 10E4, log10 Pow 4.35.
- Executive summary:
The partition coefficient (n-octanol/water) of the test substance, ES421 Pinyl Nitrile, was 2.23 x 104, log10 Pow4.35, using an HPLC method designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation(EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
Reference
Calibration
Dead Time |
Retention Time (mins) |
Mean Retention Time (mins) |
|
Injection 1 |
Injection 2 |
||
Thiourea |
1.620 |
1.620 |
1.620 |
Standard |
Retention Time (mins) |
Mean Retention Time (mins) |
Capacity factor (k') |
Log10 k' |
Log10 Pow |
|
Injection 1 |
Injection 2 |
|||||
Benzyl alcohol |
1.807 |
1.807 |
1.807 |
0.115 |
-0.938 |
1.1 |
Benzonitrile |
1.908 |
1.908 |
1.908 |
0.178 |
-0.750 |
1.6 |
Benzene |
2.369 |
2.376 |
2.373 |
0.465 |
-0.333 |
2.1 |
Toluene |
2.808 |
2.808 |
2.808 |
0.733 |
-0.135 |
2.7 |
Naphthalene |
3.218 |
3.226 |
3.222 |
0.989 |
-4.85 x 10-3 |
3.6 |
Phenanthrene |
5.090 |
5.090 |
5.090 |
2.14 |
0.331 |
4.5 |
Triphenylamine |
11.390 |
11.398 |
11.394 |
6.03 |
0.781 |
5.7 |
Partition coefficient of sample
Injection |
Retention Time (mins) |
Capacity factor (k') |
Log10 k' |
Log10 Pow |
|
1 |
4.954 |
2.058 |
0.314 |
4.35 |
|
2 |
4.968 |
2.067 |
0.315 |
4.35 |
|
Description of key information
The
partition coefficient (n-octanol/water)ofthe
test substance, ES421 Pinyl Nitrile, was 2.23
x 104,
log10Pow
4.35,
using an HPLC methoddesigned
to be compatible with Method A.8 Partition Coefficient of Commission
Regulation(EC)
No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for
Testing ofChemicals,
13 April 2004.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.35
- 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.
