Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Reported 19Jan2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
not specified
GLP compliance:
no
Other quality assurance:
other: ISO9001
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
7-hydroxy-N,N,N-trimethylnaphthalen-2-aminium methyl sulfate
Cas Number:
377734-55-9
Molecular formula:
C14H19NO5S
IUPAC Name:
7-hydroxy-N,N,N-trimethylnaphthalen-2-aminium methyl sulfate
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
NBTRI
RK0400 16-09-01 (Spray Dried)

Study design

Analytical method:
photometric method

Results and discussion

Partition coefficient
Key result
Type:
Pow
Partition coefficient:
0.018
Temp.:
20 °C
pH:
7
Details on results:
In a separating funnel 100ml of distilled water was added followed by 100 ml of octan-1-ol, this was
then shaken and left to settle for 10 minutes. 0.4823g of sample was added to the separating funnel,
this was shaken for 1 minute. The solution was then left overnight to allow the 2 phases to separate.
The next day the phases were separated into 2 100 ml volumetric flasks. These solutions were then
measured on the spectrophotometer using the relevant solvent as a blank.
Abs in octan-1-ol 0.544088@ 330 nm
Abs in water 1.49172 @330 nm (20 fold dilution required to get the abs in range)

0.544088 / 29.8344 = 1.8×10-2

Applicant's summary and conclusion

Conclusions:
The Pow was experimentally determined to be 0.018 in a lab with a constant temperature of 20°C.
Executive summary:

The Pow was experimentally determined to be 0.018 in a lab with a constant temperature of 20°C.