Registration Dossier

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
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:
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:
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

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.

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.

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