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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experimental dates: 2017-10-11 to 2017-10-12
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
The study was conducted according to an internationally recognised method, and under GLP. No significant deviation was reported. The test substance is adequately characterised. Therefore full validation applies.
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
(2004)
Deviations:
yes
Remarks:
standards were injected separately instead of simultaneously
Qualifier:
according to guideline
Guideline:
other: EU Method A.24 (Partition coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) method)
Version / remarks:
Regulation (EC) No.440/2008 (as updated by Regulation (EU) No.2016/266)
Deviations:
yes
Remarks:
standards were injected separately instead of simultaneously
GLP compliance:
yes (incl. QA statement)
Remarks:
Inspection June 7th-10th,2016 and July 13th,2016. Signed Jan. 03rd, 2017.
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
2.4
Temp.:
22.7 °C
pH:
ca. 4 - ca. 9

Details on the determination of dead time and calibration data of the reference items are provided in the study report.

The calculated slope, Y-intercept and correlation coefficient for the first and second calibration of the reference items are:

   1st Calibration  2nd Calibration
 slope  1.7585  1.7545
 Y-intercept  0.8088  0.8134
 r2  0.9877  0.9876
 r  0.9938  0.9938

(Diphenylamine values were considered as outliers, and discarded. However, the total number of reference substances is still 6, as required by the guideline. Therefore, the elimination of diphenylamine is not considered to affect the validity of the study.)

For the test item, the mean retention time was used to derive two individual logPow values under consideration of the first and second calibration. As the values were consistent (within 0.1 log unit), a mean value was calculated from these individual logPow values.

1st Calibration: 2.41 ± 0.03; 2.31 to 2.50 (95 % CI)

2nd Calibration: 2.41 ± 0.03; 2.31 to 2.50 (95 % CI)

Mean: 2.41

Conclusions:
The substance has low potential to bioaccumulate in the environment, according to CLP classification criteria for aquatic chronic toxicity (log Kow <4).
Executive summary:

The partition coefficient of the test substance was measured under GLP according to the OECD 117/ EU A24 guideline, HPLC method.

The system was calibrated with 6 reference substances, between logKow 1.6 and 3.2, and the partition coefficient of the test substance was interpolated from the linear regression. All measurements were performed in duplicate.

The partition coefficient (log Kow) of the test substance has been determined to be 2.4 (at 22.7°C; no pH-dependency anticipated).

Description of key information

The data is relevant for classification in aquatic chronic toxicity hazard class, according to CLP criteria. The substance has LOW potential for bioaccumulation (log Kow < 4).

Key value for chemical safety assessment

Log Kow (Log Pow):
2.4
at the temperature of:
22.7 °C

Additional information

A fully reliable experimental study, conducted according to a recognized OECD/EC method and under GLP, is available. It is considered as a key study, and the result is retained as key value.