Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 18 April 2018 to 07 May 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
The substance can be produced through different process routes, yielding solutions in water or organic solvent (e.g. methanol or ethylene glycol).
It was initially unclear how to register the substance (mono-constituent or multi-constituent substance) and which manufactured substance to test to fulfil the REACH data requirements. After consultation with the ECHA helpdesk, the test program was started with the manufactured substance of the Lead registrant (solvent: methanol) in which the highest amount of solvent could be removed without causing degradation of the substance. This resulted in the selection of a solution of 56-57% BTMAOH in methanol as test substance.
During the course of the test program, and in order to aid meaningful risk assessment, after consultation with ECHA and upon ECHA's recommendation, it was considered to be more appropriate to test the water-based manufactured substance. As a consequence, some testing was performed with a BTMAOH solution in methanol, and some testing was performed with a BTMAOH solution in water.

The current entry reflects a test performed with a water-based test solution.
Cross-reference
Reason / purpose for cross-reference:
reference to other study

Data source

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

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
2016
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Version / remarks:
1996
Deviations:
no
GLP compliance:
yes
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Benzyltrimethylammonium hydroxide
EC Number:
202-895-5
EC Name:
Benzyltrimethylammonium hydroxide
Cas Number:
100-85-6
Molecular formula:
C10H16N.HO
IUPAC Name:
benzyltrimethylammonium hydroxide
Test material form:
liquid
Details on test material:
Appearance: Clear almost colourless liquid
Test item storage: At room temperature
Stable under storage conditions until: 30 November 2020 (expiry date)

Study design

Analytical method:
liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Key result
Type:
log Pow
Partition coefficient:
-3
Temp.:
20 °C
pH:
7
Key result
Type:
Pow
Partition coefficient:
0.001
Temp.:
20 °C
pH:
7
Details on results:
- Concentration analysed in the stock solution was 1.03 g/L.
- Nominal quantity of the substance in each test sample: 2.06 mg.
- Recovery (range) for the test samples: 100-104%.
- The log Pow values were within the criterion range of ± 0.3 log units (see table below)

Any other information on results incl. tables

Table: Shake-flask results

 

Ratio
n-octanol : buffer pH 7 [v:v]

Analyzed concentration

Pow

log Pow

pH

n-octanol
[g/L]

buffer pH 7
[g/L]

individual

 

 

1:1

0.000400

0.344

1.2E-3

-2.9

7.1

 

0.000481

0.350

1.4E-3

-2.9

7.1

1:2

0.000388

0.266

1.5E-3

-2.8

7.1

 

0.000250

0.266

9.4E-4

-3.0

7.1

2:1

0.000457

0.528

8.7E-4

-3.1

7.1

 

0.000478

0.525

9.1E-4

-3.0

7.1

Mean

1.1E-3

-3.0

 

Standard deviation

2.5E-4

 

 

Applicant's summary and conclusion

Conclusions:
The log Pow of BTMAOH at pH 7 and 20°C was determined to be -3.0.
Executive summary:

The shake-flask method according to EC A.8, OECD 107 and OPPTS 830.7550 was performed (GLP-study). The study was performed with 20% BTMAOH in water. Quantitative analysis was performed on BTMAOH by HPLC-UV. The Pow of BTMAOH at pH 7 and 20°C was determined to be 1.1E-3 with a standard deviation of 2.5E-4. log Pow = -3.0.

Categories Display