Registration Dossier
Registration Dossier
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EC number: 940-272-6 | CAS number: 2097734-13-7
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:
- 2014-02-18 to 2014-06-30
- 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 (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- Pow
- Partition coefficient:
- 3 980 000
- Temp.:
- 25 °C
- pH:
- 6.88
- Key result
- Type:
- log Pow
- Partition coefficient:
- 6.6
- Temp.:
- 25 °C
- pH:
- 6.88
- Conclusions:
- Partition coefficient n-octanol / water (Pow) at 25 °C: Pow = 3.98 x 10h6 / log Pow = 6.6
- Executive summary:
The partition coefficient n-octanol / water (Pow) of the test item was determined according to OECD guideline no. 117 [adopted on 13 April 2004] and EU test method A.8 [Council Regulation (EC) No 44012008 of 30 May 2008] with the HPLC method.
Reference
Sample no.1) |
tR1 [min] |
tR2 (min) |
tR minj |
k' |
log k'(x) |
log Pow(y) |
0 |
1.19 |
1.19 |
1.19 |
--- |
--- |
--- |
1 |
1.98 |
1.98 |
1.98 |
0.664 |
-0.178 |
2.72) |
2 |
2.25 |
2.25 |
2.25 |
0.891 |
-0.050 |
3.22) |
3 |
2.70 |
2.70 |
2.70 |
1.269 |
0.103 |
4.13) |
4 |
2.61 |
2.61 |
2.61 |
1.193 |
0.077 |
4.52) |
5 |
3.15 |
3.15 |
3.15 |
1.647 |
0.217 |
4.62) |
6 |
4.54 |
4.53 |
4.54 |
2.815 |
0.449 |
6.24) |
7 |
12.96 |
12.95 |
12.96 |
9.891 |
0.995 |
7.94) |
Test item |
6.43 |
4.403 |
0.644 |
6.6005) |
||
Test item |
6.40 |
4.378 |
0.641 |
6.5865) |
||
Mean value |
6.6 |
1) For the names of the reference compounds see 9.5.
2) Results from the OECD guideline for the testing of chemicals No.117:,Partition Coefficient (noctanol/water), HPLC method"(13 April2004).
3) Results fromM.Harnischet
al.,J.Chromatogr.282,
315-333(1983)
4) Results fromW.Klein
etal.,Chemosphere,
Vol.17 No.2, 361-386
(1988)
5) Interpolated
from linearized function
log Pow=f(logk')
of the calibration
data.
The logPow-values of the test item fall within a range of ±0.1 units,thus the test is satisfactory.
Description of key information
Partition coefficient n-octanol / water (Pow) at 25 °C: Pow = 3.98 x 10h6 / log Pow = 6.6
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.6
- at the temperature of:
- 25 °C
Additional information
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