Registration Dossier
Registration Dossier
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EC number: 700-903-6 | CAS number: 255830-15-0
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study without detailed documentation
- Remarks:
- The study was conducted in accordance with OECD 107 but full details are not available.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- not specified
- GLP compliance:
- not specified
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- not specified
- Key result
- Type:
- log Pow
- Partition coefficient:
- -4.3
- Temp.:
- 20 °C
- Remarks on result:
- other: A pH value of 10 is assumed for the test substance
- Conclusions:
- A log Kow -4.3 (Pow = 4.92E-05) at 20°C was determined for ATMP-N-Oxide-5k using a relevant test method. The result is considered to be reliable.
Reference
Octanol/water ratio |
Test No |
Octanol concentration mg/mL |
Water concentration mg/mL |
Pow |
Average on two values |
A |
1 |
0.00697 |
99.50 |
7.00E-05 |
6.00E-05 |
|
2 |
0.00497 |
99.42 |
5.00E-05 |
|
B |
1 |
0.00448 |
99.45 |
4.50E-05 |
5.50E-05 |
|
2 |
0.00646 |
99.36 |
6.50E-05 |
|
C |
1 |
0.00348 |
99.30 |
3.50E-05 |
3.25E-05 |
|
2 |
0.00298 |
99.32 |
3.00E-05 |
Average value of three determinations : Pow = 4.92E-05
log Kow = -4.3
Description of key information
log Kow (ATMP-N-Oxide-5K): -4.3 (OECD 107)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -4.3
- at the temperature of:
- 20 °C
Additional information
A measured log Kow value of -4.3 at 20°C was determined for the potassium salt of ATMP-N-Oxide according to OECD Test Guideline 107. The result is considered to be reliable and is selected as key study.
This value is supported by a predicted log Kow value of -4 ± 1 which was determined for the parent acid (ATMP-N-oxide-H) using a validated estimation method.
ATMP-N-Oxide-5K is freely soluble in water and, therefore, the ATMP-N-Oxide anion is fully dissociated from its potassium cations when in solution. The ATMP-N-Oxide anion has six P-OH groups that can be ionised. They lose a hydrogen to form a negatively charged group (P-O-). As the pH increases, the number of ionised groups increases. Under any given conditions, the degree of ionisation of the ATMP-N-Oxide species is determined by the pH of the solution. At a specific pH, the degree of ionisation is the same regardless of whether the starting material was ATMP-N-Oxide-5K, ATMP-N-Oxide-H, or another salt of ATMP-N-Oxide.
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.
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