1,3-bis(hydroxymethyl)urea

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 2011-03-23 to 2011-11-02

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

< 0.3

Temp.:

23 °C

pH:

6.1

As the retention time of the test item peak was below the one of 2-butanone (log P_ow = 0.3), the log P_ow is estimated to be <0.3. Additionally the solubility of the test item in n-octanol was tested. The solubility of the test item in n-octanol is ≥11 mg/L < 116 mg/L at 23 °C.

The theoretical values of log P_ow (calculated with EPIWIN software) of the test item is -3.15.

Conclusions:

As the retention time of the test item peak was below the one of 2-butanone (log Pow = 0.3), the log Pow is estimated to be <0.3.

Executive summary:

A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method. A solution of the test substance was prepared in water : acetonitrile = 75 :25 (v/v) (46.78 mg). A mixture of reference compounds was used (10.8 - 264.7 mg in 30 mL acetonitrile and water to 100 mL). As the retention time of the test item peak was below the one of 2-butanone (log P_ow = 0.3), the partition coefficient log Pow of the test item was determined to be log Pow < 0.3. The determination was performed at 23 °C. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.

Description of key information

As the retention time of the test item peak was below the one of 2-butanone (log P_ow = 0.3), the log Pow is estimated to be <0.3.

Additional information

A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method (reference 4.7-1). A solution of the test substance was prepared in water : acetonitrile = 75 :25 (v/v) (46.78 mg). A mixture of reference compounds was used (10.8 - 264.7 mg in 30 mL acetonitrile and water to 100 mL). As the retention time of the test item peak was below the one of 2-butanone (log P_ow= 0.3), the partition coefficient log Pow of the test item was determined to be log Pow < 0.3. The determination was performed at 23 °C. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.