Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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
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

Constituent 1
Chemical structure
Reference substance name:
4'-anilinotoluene-4-sulphonanilide
EC Number:
202-902-1
EC Name:
4'-anilinotoluene-4-sulphonanilide
Cas Number:
100-93-6
Molecular formula:
C19H18N2O2S
IUPAC Name:
4'-anilinotoluene-4-sulphonanilide

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