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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:
12.03.2010 to 28.04.2010
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)
Version / remarks:
adopted April 13, 2004
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Version / remarks:
May 2008
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
4-(Methacryloyloxy)bezophenone: 97.26%
Benzophenone acetate: 1.95 %
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.6
Temp.:
25 °C
pH:
ca. 7

Capacity Factor k' and log Powof the Reference Items 

Item

Replicate of analysis

Retention time1

[min]

Capacity factor2

Log K2

Log Pow3

Natriumnitrat

3

0.593

n.a.

n.a.

n.a.

Reference items:

 

 

 

 

 

Methyl benzoate

3

2.615

3.4

0.533

2.1

Atrazine

3

2.615

3.4

0.533

2.6

Benzophenone

3

4.362

6.4

0.803

3.2

Phenyl benzoate

3

6.618

10.2

1.007

3.6

Benzyl benzoate

3

8.479

13.3

1.124

4.0

Phenanthrene

3

24.548

40.4

1.607

4.5

 

1Mean value of three measurements

2Values represent rounded results calculated from the exact raw data

3Log Pow values given in OECD Guideline No. 117

The linearity of the analytical method was confirmed in the log Pow-range from 2.1 to 4.5.

Calibration Curve: y = 0.4393 * x – 0.5299                              (DIN 32645)

Regression Coefficient (r): 0.9574

Capacity Factor k’ and log Powof the Test Item 4 -(Methacryloyloxy)bezophenone

Test item

Retention time1

[min]

Capacity factor2

Log K2

Log Pow3

 

7.562

11.76

1.07

3.6

 

7.540

11.72

1.07

3.6

 

7.512

11.67

1.07

3.6

Mean value

7.538

11.72

1.07

3.6

Conclusions:
The logarithmic partition coefficient (n-octanol/water) of the test item was determined to be 3.6 using the HPLC method at 25 °C +/- 1 °C.
Executive summary:

The n-Octanol / water partition coefficient (log Kow) of 4 -(Methacryloyloxy)benzophenone is reported to be 3.6 at 25 °C according to OECD guideline 117, adopted 13 April 2004, andEU Method A.8, 30 May 2008; HPLC method).

Description of key information

Key value for chemical safety assessment

Log Kow (Log Pow):
3.6
at the temperature of:
25 °C

Additional information