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EC number: 241-155-6 | CAS number: 17090-93-6
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2022
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- sodium 2-amino-3-carboxypropanoate
- Cas Number:
- 323194-76-9
- Molecular formula:
- C4H7NO4.xNa
- IUPAC Name:
- sodium 2-amino-3-carboxypropanoate
- Test material form:
- solid: particulate/powder
- Details on test material:
- Name: L-aspartic acid, sodium salt monohydrate 1
Batch/Lot number: Z201125/ VG29848563
CAS number: 323194-76-9
Anhydrous substance name: L-aspartic acid, sodium salt, CAS: 17090-93-6
Appearance: Solid, white, crystalline powder
Purity: 98%
Expiry date: 24 November 2022
Storage conditions: Room temperature (15-25 ºC), protected from humidity (tight closed
container)
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- < -0.91
- Temp.:
- 20 °C
- pH:
- >= 6.74 - <= 7.08
- Details on results:
- Calculated value of decimal logarithm of Test item 1-octanol/water partition coefficient (log Pow) at 20.0 ± 1.0 °C and at pH ranging 6.74 - 7.08 is < -0.91 ± 0.12.
Any other information on results incl. tables
Determination of partition coefficient 1-octanol/water at one pH value
The test item stock solution was prepared in water pre-saturated with 1-octanol. The measured Test item concentration in stock solution (water) was 5.253 g/kg (5.253 g/l) – the result is the average value of two determinations. Density of 1-octanol (supplier data) is 0.825 g/l.
Table 9. Calculated values of partition coefficient 1-octanol/water
Vial number | 1 | 2 | 3 | 4 | 5 | 6 | |
Volume 1-octanol phase/volume of water phase | 1:1 | 1:2 | 2:1 | ||||
Pow = C1-octanol/Cwater | < 0.13 | < 0.13 | < 0.16 | < 0.17 | < 0.09 | < 0.09 | |
log Pow = Log(C1-octanol/Cwater) | < -0.89 | < -0.90 | < -0.79 | < -0.78 | < -1.06 | < -1.06 | |
Average log Pow + standard deviation | < -0.90 ± 0.00 | < -0.78 ± 0.01 | < -1.06 ± 0.00 | ||||
Average log Pow + standard deviation | < -0.91 ± 0.12 | ||||||
Applicant's summary and conclusion
- Conclusions:
- Calculated value of decimal logarithm of Test item 1-octanol/water partition coefficient (log Pow) at 20.0 ± 1.0 °C and at pH ranging 6.53 – 6.81 is -1.82 ± 0.09.
- Executive summary:
The study of thedetermination of partition coefficient 1-octanol/water was carried out according to the method EC A.8. COUNCIL REGULATION (EC) No 440/2008 (Method A.8. Determination of partition coefficient 1-octanol/water; p. 67) which is in conformity with OECD Guideline 107 and concluded in SPO/BS/10/b, edition 6.
Test conditions
Duplicate test vials containing the required accurately measured amounts of the two solvents together with the necessary quantity of the stock solution were prepared for each of the test conditions water volume/1-octanol volume ratio.The test vials were shaken by hand for about 5 minutes.In order to separate the phases, centrifugation of the mixture was carried out in a laboratory centrifuge maintained at (20 ± 1)°C using rate of rotationapproximately3000 rpm during 15 minutes.
Measurement procedure
The concentrations of test item were determined in both phases byHPLCmethod. The total quantity of the test item present in both phases was calculated and compared with the quantity of the substance originally introduced.pH of the aqueous phase before and after the experiment was measured according to SPO/BS/24/t, edition 3.
Calculated value of decimal logarithm of Test item 1-octanol/water partition coefficient (log Pow) at 20.0 ± 1.0 °C and at pH ranging 6.53 – 6.81 is -1.82 ± 0.09.
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