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EC number: 402-030-3 | CAS number: 624-86-2
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.7
- Temp.:
- 25 °C
- pH:
- 7.6
Reference
Summary of Partition Coefficient Results
| (1) | (2) | (3) | |
| Weight of sample (mg) | 8.1039 | 1.35065 | 2.7013 |
| Volume of octanol (ml) | 10 | 20 | 5 |
| Volume of water (ml) | 15 | 5 | 20 |
| Concentration in aqueous phase (mg/ml) | (1) 0.43918 (2) 0.44698 |
(3) 0.10399 (4) 0.11144 |
(5) 0.13349 (6) 0.12953 |
| Concentration in octanol phase (mg/ml ) | (1) 0.10592 (2) 0.10647 |
(3) 0.02097 (4) 0.02067 |
(5) 0.02655 (6) 0.02586 |
Total amount detected (mg ) |
(1) 7.6469 (2) 7.7694 |
(3).0.9394 (4) 0.9706 |
(5) 2.08026 (6) 2.7199 |
P = Conc . octanol /Conc . wate r |
(1) 0.2412 (2) 0.2382 |
(3) 0.2017 (4) 0.1855 |
(5) 0.1989 (6) 0.1996 |
Average P |
0.2397 |
0.1936 |
0.1993 |
Log P |
1.3797 |
1.2869 |
1.2996 |
Average Log P |
1.30 +/- 0.1 or -0.7 +/- 0.1 |
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pH of Aqueous Phase |
7.6 |
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* Results based upon amine content of Test Sample being 47 .6% w/w .
Description of key information
The partition coefficient of the aqueous solution is -0.7 at 25 °C and pH 7.6.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.7
- at the temperature of:
- 25 °C
Additional information
A GLP study was conducted in accordance with "Methods for the Determination of Physico-Chemical Properties", Directive 84/449/EEC, Annex V Part A.8 using the shake flask method. ICI GLP study RD 10635C determined the patition coefficient of the aqueous solution to be -0.7 at 25°C and pH 7.6.
A calculation done with EPI Suite results a partition coefficient of 0.09 for the pure substance at 25 °C.
It can be assumed that the distribution coefficient for the aqueous solution and the pure substance are the same. Therefore the value from the GLP study was chosen as key value for the partition coefficient.
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