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Physical & Chemical properties

Partition coefficient

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Administrative data

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

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2019
Report date:
2019

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
N-benzylethylenediamine
EC Number:
223-984-5
EC Name:
N-benzylethylenediamine
Cas Number:
4152-09-4
Molecular formula:
C9H14N2
IUPAC Name:
N-benzylethane-1,2-diamine
Test material form:
liquid

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
0.71
Temp.:
23 °C
pH:
11

Any other information on results incl. tables

Determination of log Pow at pH 11

Results

Analysis of the stock solutions

Stock solution

Concentration of test item nominal

 [mg/l]

Concentration of test item found

[mg/l]

Recovery

 

 [%]

1

505.40

508.99

100.7

2

611.30

611.69

100.1

 

log Pow calculation

Test

Ctest item, nominal

[mg/l]

Vwater

[mI]

Vn-octanol

[mI]

Cfound inwater

[mI/l]

Cfound in n-octanol

[mI/l]

Pow

log Pow

1a

505.40

10

20

90.4136

447.6149

4.9510

0.69

1b

505.40

20

20

78.3551

409.1665

5.2220

0.72

1c

505.40

20

10

67.1071

359.4809

5.3568

0.73

2a

611.30

10

20

111.9458

568.1600

5.0753

0.71

2b

611.30

20

20

98.9062

513.8130

5.1950

0.72

2c

611.30

20

10

82.9952

438.0427

5.2779

0.72

 

 

 

 

 

Mean

5.1797

0.71

 

 

 

 

 

SD

0.1458

0.01

 

 

 

 

 

log Pow

0.71

 

 

 Recovery

Test

mexp

[mg]

mfound buffer

[mg]

mfound n-octanol

[mg]

mfound total *

[mg]

recovery

[%]

pHbuffer**

1a

10.108

0.904

8.953

9.857

97.5

11.0

1b

10.108

1.567

8.183

9.750

96.5

11.0

1c

5.054

1.342

3.595

4.937

97.7

11.0

2a

12.226

1.119

11.363

12.483

102.1

11.0

2b

12.226

1.978

10.276

12.254

100.2

11.0

2c

6.113

1.660

4.380

6.040

98.8

11.0

* For calculation of the recovery the values of mtound- total were used.

** The mean of all pH values of the buffer phases: pH = 11 .

Remark: All results in the tables are calculated with non-rounded values.

log Pow = 0.71 at pH = 11 (mean pH value of all tested buffer phases) and T = 23 °C.

For further information the n-octanol solubility of the test item was investigated

The test item shows complete miscibility with n-octanol at at T = 23 °C and T = 20.0 °C ± 0.5 °C.

Applicant's summary and conclusion

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