Registration Dossier
Registration Dossier
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EC number: 500-155-9 | CAS number: 62362-49-6 1 - 2.5 moles ethoxylated
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:
- 1 October 2018 to 14 March 2019
- 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
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Purity: 100% (UVCB)
Appearance/Physical state: Solid, white pastille
Storage: Room temperature in the dark - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 6.5
- Temp.:
- 30 °C
- pH:
- ca. 5
- Conclusions:
- In a study conducted according to OECD 117, using the HPLC method, the partition coefficient at pH 5.0 was determined to be in the range 512 to greater than 3.2 E6, log10 Pow in the range 2.7 to greater than 6.5.
Using area normalization, 96% of the test item showed a log10 Pow of greater than 6.5 at pH 5.0. - Executive summary:
The partition coefficient was in the range 512 to greater than 3.2 E6 , log10 Pow in the range 2.7 to greater than 6.5, at pH 5.0, 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 OECD Guidelines for Testing of Chemicals No. 117, 13 April 2004.
Using area normalization, 96% of the test item showed a log10 Pow of greater than 6.5 at pH 5.0.
Reference
As the test item is a UVCB, it was concluded that the HPLC method would be suitable for determination of the partition coefficient.
The test item has predicted dissociation constants of approximately 0.9 and 3.6, using ACD/Labs I-Lab 2.0, for the phosphate protons. Therefore, testing was performed at pH5.0 to evaluate the test item at an environmentally relevant pH, i.e. in its ionized form.
As the slope of the calibration curve for the reference standards showed good first order correlation and as the retention times between duplicate injections for each solution was consistent, the HPLC method was considered valid for the determination of partition coefficient.
Description of key information
In a study conducted according to OECD 117, using the HPLC method, the partition coefficient at pH 5.0 was determined to be in the range 512 to greater than 3.2 E6, log10 Pow in the range 2.7 to greater than 6.5.
Using area normalization, 96% of the test item showed a log10 Pow of greater than 6.5 at pH 5.0.
Key value for chemical safety assessment
Additional information
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