Registration Dossier

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:
2017
Report Date:
2017

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
no
Other quality assurance:
ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent

Study design

Analytical method:
photometric method

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
2.58
Temp.:
25 °C
pH:
7

Any other information on results incl. tables

The linear relation of logPowand logk

The logPow values of each standards can be obtained from “OECD 117 Partition Coefficient (n-octanol/ water), HPLC method”. 

The determination result of the linearity is shown in Table

No.

standards

logPow

Retention time

/min

Average value of

retention time/min

capacity factor

k

logk

1

Formamide

/

2.132 

2.132 

0 

/

 

 

 

 

 

 

2.132 

2

Acetanilide

1.0 

2.626 

2.626 

0.2317 

-0.6351 

 

 

 

 

 

 

2.626 

3

Phenol

1.5 

2.832 

2.832 

0.3283 

-0.4837 

 

 

 

 

 

 

2.832 

4

2-Nitrophenol

1.8

3.639 

3.639 

0.7068 

-0.1507 

 

 

 

 

 

 

3.639 

5

Anisole

2.1 

4.502 

4.504 

1.1126 

0.0463 

 

 

 

 

 

 

4.506 

6

Toluene

2.7 

6.316 

6.316 

1.9625 

0.2928 

 

 

 

 

 

 

6.316 

7

Bromobenzene

3.0 

6.702 

6.702 

2.1435 

0.3311 

 

 

 

 

 

 

6.702 

8

Naphthalene

3.6 

7.502 

7.502 

2.5188 

0.4012 

 

 

 

 

 

 

7.459 

The determination result of the partition coefficient 

Injection

Retention time/min

capacity factor k

log k

log Pow

Average value

1

5.029

1.3588

0.1332 

2.58 

2.6

 

2

5.029

1.3588

0.1332 

2.58 

Applicant's summary and conclusion

Conclusions:
log Pow =2.6