Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 947-354-0 | 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:
- 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- no
- Remarks:
- The study described in this report was conducted in a facility which operates in accordance with Good Laboratory Practice principles; however, no claim of GLP compliance was intended nor is made for this study.
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Identification: Methacryloxyisopropyl acid phthalate
Appearance/Physical state: clear yellow liquid
Batch: YY00GCV000
Purity: 62.8%
Expiry date: 31 December 2017
Storage conditions: room temperature in the dark - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.17
- Temp.:
- 30 °C
- pH:
- 2
- Conclusions:
- The partition coefficient of the test item has been determined to be 149, log10 Pow 2.17.
- Executive summary:
Partition Coefficient (n-octanol/water). 149, log10 Pow 2.17, using the 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
Preliminary Estimate Results:
The log10 Pow was calculated to be: 2.72
Definitive Test Results:
Calibration:
The retention times of the dead time and the retention times, capacity factors (k') and log10 Pow values for the reference standards are shown in the following tables:
Dead Time
|
Retention Time (mins)
|
Mean Retention Time (mins)
|
|
Injection 1
|
Injection 2
|
||
Thiourea
|
1.320
|
1.320
|
1.320
|
Standard
|
Retention Time (mins)
|
Capacity Factor (k')
|
Log10k'
|
Log10Pow
|
||
Injection 1
|
Injection 2
|
Mean
|
||||
2-butanone |
1.555 |
1.560 |
1.557 |
0.180 |
-0.744 |
0.3 |
Benzyl alcohol |
1.756 |
1.756 |
1.756 |
0.331 |
-0.480 |
1.1 |
Benzonitrile |
2.028 |
2.026 |
2.027 |
0.536 |
-0.271 |
1.6 |
Benzene |
3.224 |
3.210 |
3.217 |
1.44 |
0.158 |
2.1 |
Toluene |
4.898 |
4.859 |
4.879 |
2.70 |
0.431 |
2.7 |
Naphthalene |
7.336 |
7.249 |
7.293 |
4.53 |
0.656 |
3.6 |
Partition coefficient of sample
The retention times, capacity factor and log10 Pow value determined for the sample are shown in the following table:
Injection |
Retention Time (mins) |
Capacity Factor (k') |
Log10k' |
Log10Pow |
1 |
2.923 |
1.22 |
8.46 x 10-2 |
2.18 |
2 |
2.918 |
1.21 |
8.33 x 10-2 |
2.17 |
Mean log10 Pow: 2.17
Partition coefficient: 149
Discussion:
The result from the preliminary test indicated that the HPLC method was suitable for determination of partition coefficient for this test item.
The mobile phase was adjusted to pH 2 to ensure the test item was tested in its non-ionized form.
Description of key information
Partition Coefficient (n-octanol/water). 149, log10 Pow 2.17, using the 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.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.17
- 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.
