Registration Dossier
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EC number: 201-579-4 | CAS number: 85-00-7
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:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Key result
- Type:
- log Pow
- Partition coefficient:
- -4.6
- Temp.:
- 20 °C
- Remarks on result:
- other: no pH has been reported
- Details on results:
- The octanol-water partition coefficient, Log Pow, is -4.6 at approximately 20 °C. Since the test substance is strongly ionic the Log Pow is expected to be negative; the equilibrium being heavily in favour of the aqueous phase. This was borne out in the results, the levels detected in the octanol phase were unreliable and in most cases the peak attributed to the substance dicationic species had a peak height in the region of the lowest standard (0.02 µg/cm3). This accounts for the variability in the individual Log Pow results. However, the results confirm that the Log Pow is substantially less than 0 and not biologically significant in terms of bioaccumulation. Results are detailed in Table 1 in 'Any other information on results incl. tables'.
- Conclusions:
- The mean log Pow was determined to be -4.6 at 20 °C.
- Executive summary:
The 1-octanol / water partition coefficient (Pow) of the test substance has been determined in accordance with the OECD TG 107 using the shake-flask method, and in compliance with GLP. The mean log Pow was -4.6 at 20 °C.
Reference
Table 1 Partition Coefficient Results
Ratio, Replicate |
CocT (%w/v) |
CAa (%w/v) |
Pow |
LogPow |
1:1, 1 |
3.47 E-06 |
0.370 |
9.38 E-06 |
-5.03 |
1: 1, 2 |
6.55 E-06 |
0.365 |
1.79E-05 |
-4.75 |
4:1, 1 |
2.94 E-05 |
0.377 |
7.80 E-05 |
-4.11 |
4:1, 2 |
1.74E-05 |
0.378 |
4.60 E-05 |
-4.34 |
3:2, 1 |
7.51 E-06 |
0.371 |
2.02 E-05 |
-4.69 |
3:2, 2 |
8.28 E-06 |
0.369 |
2.24 E-05 |
-4.65 |
|
Mean [2 Sig. Figs.] |
-4.6 (Sr 7.1 %) |
||
Description of key information
Log Kow = -4.6 at 20 °C, OECD TG 107, flask method, Husband 2001.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -4.6
- at the temperature of:
- 20 °C
Additional information
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