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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
04.04.2016 to 29.06.2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
>= 9.4 - <= 10.6
Temp.:
24 °C
pH:
ca. 7
Remarks on result:
other:
Remarks:
Temperature 23.6-24.2°C; pH was not measured. DINCD does not contain any dissociating groups.

Summary of the results of the HPLC measurements of the reference compounds and the test item:

Sample no.1)

tR1

[min]

tR2

[min]

tR

[min]

k'

log k'(x)

logPow(y)

0

1.20

1.20

1.20

---

---

---

1

1.91

1.91

1.91

0.617

-0.210

2.7 2)

2

2.17

2.18

2.18

0.817

-0.088

3.2 2)

3

2.44

2.44

2.44

1.033

0.014

4.1 3)

4

2.56

2.56

2.56

1.133

0.054

4.5 2)

5

3.00

3.00

3.00

1.500

0.176

4.6 2)

6

4.29

4.29

4.29

2.575

0.411

6.2 4)

7

10.45

10.45

10.45

7.708

0.887

7.9 4)

Test item

18.30

14.250

1.154

9.403 5)

Test item

18.16

14.133

1.150

9.384 5)

Test item

31.56

25.300

1.403

10.59 5)

Test item

31.64

25.367

1.404

10.60 5)

Mean value (upper and lower limit)

9.4-10.6

1) For the names of the reference compounds see 9.3.

2) Results from the OECD guideline for the testing of chemicals No. 117: ,Partition Coefficient (n-octanol/water), HPLC method" (13 April 2004).

3) M. Harnisch et al.: J. Chromatogr. 282, 315 -333 (1983)

4) W. Klein et al.: Chemosphere Vol. 17, No.2, 361- 386 (1988)

5) Extrapolated from linearized function log Pow = f(log k' ) of the calibration data.

Conclusions:
The partition coefficient n-octanol I 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.
Partition coefficient n-octanol / water (Pow): log Pow = 9.4- 10.6 (upper and lower limits)
(23.6 to 24.2 °C)

Description of key information

The logKow of the test substance is 9.4 to 10.6 (upper and lower limits).

Key value for chemical safety assessment

Log Kow (Log Pow):
10.6
at the temperature of:
23.9 °C

Additional information

The partition coefficient n-octanol /water of the test substance has been determined according to OECD guideline no. 117 and EU test method A.8 with the HPLC method. The logKow of the test substance is 9.4 to 10.6 (upper and lower limits) at a temperature of 23.6 to 24.2 °C.