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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

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
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
GLP compliance:
yes
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Substance ID: TSN104816
Lot number: F50-E1662-51
Purity: 99.8%
Analytical method:
high-performance liquid chromatography
Key result
Type:
Pow
Partition coefficient:
120 000
Temp.:
20 °C
pH:
5
Key result
Type:
Pow
Partition coefficient:
121 000
Temp.:
20 °C
pH:
7
Key result
Type:
Pow
Partition coefficient:
115 000
Temp.:
20 °C
pH:
9
Key result
Type:
log Pow
Partition coefficient:
5.1
Temp.:
20 °C
Remarks on result:
other: at pH 5, 7 and 9
Conclusions:
The octanol/water partition coefficient of the test substance at 20°C was found to be:
120000 ± 26700 (log10 Pow = 5.1 ± 0.1) in pH 5 buffer solution
121000 ± 31800 (log10 Pow = 5.1 ± 0.1) in pH 7 buffer solution
115000 ± 29300 (log10 Pow = 5.1 ± 0.1) in pH 9 buffer solution
Executive summary:

The study was performed to determine the octanol/water partition coefficient of the test substance by the shake flask method following the guidelines EEC Method A8, OECD Method 107 and EPA/OPPTS 830.7550. The partition coefficient was determined at 20°C by the shake flask method at pH 5, 7 and 9.

The following values for the octanol/water partition coefficient, Pow, of the test substance were determined:

pH 5 buffer solution: 120000 ± 26700 (log10 Pow = 5.1 ± 0.1)

pH 7 buffer solution: 121000 ± 31800 (log10 Pow = 5.1 ± 0.1)

pH 9 buffer solution: 115000 ± 29300 (log10 Pow = 5.1 ± 0.1)

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
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
other: EPA/FIFRA subdivision D 63-11
Deviations:
no
GLP compliance:
yes
Type of method:
other: Leo-Hansch Method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Substance ID: TSN100004
Name of substance: XDE-795 (pure)
Purity: 99.7%
Analytical method:
high-performance liquid chromatography
Key result
Temp.:
20 °C
Remarks on result:
other: Log10 Kow = 4.66 (equivalent Kow = 4.61 x 10e4)
Conclusions:
Partition coefficient of the test substance at 20°C: Log10 Kow = 4.66 (equivalent Kow = 4.61 x 10e4)
Executive summary:

The study was performed to determine the octanol/water partition coefficient of the test substance following the guidelines EEC Method A8 and OECD Method 107. The partition coefficient was determined at 20°C by Leo-hansch method.

Log10 Kow = 4.66 (equivalent Kow = 4.61 x 10e4)

Description of key information

OECD guideline 107; OPPTS 830.7550; EU Method A.8

Key value for chemical safety assessment

Log Kow (Log Pow):
5.1
at the temperature of:
20 °C

Additional information