Butanal, reaction products with aniline

Partition coefficient

Link to relevant study record(s)

Reference

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:

EU Method A.8 (Partition Coefficient)

Deviations:

no

Qualifier:

equivalent or similar to guideline

Guideline:

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

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Other quality assurance:

ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

5.9

Temp.:

25 °C

pH:

7

Remarks on result:

other: concentration-weigted mean value

Details on results:

For partition coefficient of the test item Butanal, reaction products with aniline follows:
Range of main peaks of the test item determined by HPLC, RT = 7.1 - 41.6 minutes.
Log Pow = 4.3 - 7.9
Partition coefficient of main peaks of Butanal, reaction products with aniline determined by HPLC, calculated with area % and their corresponding Log Pow.
Log Pow = 5.9

Partition coefficient of main peaks of the test item Butanal, reaction products with aniline determined by HPLC, calculated with area % and their correspondence Log Pow.

Retention time [min.]	Area [ % ]	Log Pow	Log Pow (averange value of all peaks)
7.116	9.3271	4.34
9.409	15.3339	5.00
10.952	31.5725	5.32
21.149	31.0343	6.63
23.397	3.4124	6.82
41.638	9.3198	7.86
	Sum: 100.0		5.9

Conclusions:

The partition coefficient (Pow) of the test item was determined according to EU Method A.8 (Partition Coefficient) which is equivalent or similar to OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method). The determined partition coefficient (Log Pow) is in the range of 4.3 to 7.9, yielding a mean value of 5.9 (concentration weighed). These results indicate accumulation potential of the substance in the environment.

Executive summary:

The partition coefficient (Pow) of the test item was determined according to EU Method A.8 (Partition Coefficient) which is equivalent or similar to OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method).

The reference Pow-values in the OECD-guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature is without influence on the result of the determination. The calibration was done referring to Pow- values of reference substances determined at 25 °C. As no calibration standard with log Pow > 5.7 is established in the EG-test method, a new reference substance Bis(2-ethylhexyl) phthalate was used in this test. For this reference substance the log Pow-value was determined by the slow stirring method. The value of log Pow = 7.5 for Bis(2-ethylhexyl) phthalate was published by Jack de Bruin, Frans Busser, Willem Seinen and Joop Hermens in the ‘Environmental Toxicology and Chemistry, Vol 8, pp 499-512, 1989.

The chromatogram of the test item showed a resolved band of 6 signals.

Although the determined value does not exactly meet the range of application of the test guideline (0.3 - 7.5), we consider the value as valid (measurement uncertainty +/- 0,5 log units).

For partition coefficient of the test item Butanal, reaction products with aniline follows:

Range of main peaks of the test item determined by HPLC, RT = 7.1 - 41.6 minutes. Log Pow = 4.3 - 7.9

Partition coefficient of main peaks of Butanal, reaction products with aniline determined by HPLC, calculated with area % and their corresponding Log Pow =5.9.

Description of key information

The partition coefficient (Pow) of the test item was determined according to EU Method A.8 (Partition Coefficient) which is equivalent or similar to OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method). The determined partition coefficient (Log Pow) is in the range of 4.3 to 7.9, yielding a mean value of 5.9 (concentration weighed). 
The logPow of the final hydrolysis product 3-ethyl-2-propylquinoline was estimated to be 4.71. 

Key value for chemical safety assessment

Log Kow (Log Pow):

5.9

at the temperature of:

25 °C

Additional information

The partition coefficient (Pow) of the test item was determined according to EU Method A.8 (Partition Coefficient) which is equivalent or similar to OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method). The reference Pow-values in the OECD-guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature is without influence on the result of the determination. The calibration was done referring to Pow- values of reference substances determined at 25 °C. As no calibration standard with log Pow > 5.7 is established in the EG-test method, a new reference substance Bis(2-ethylhexyl) phthalate was used in this test. For this reference substance the log Pow-value was determined by the slow stirring method. The value of log Pow = 7.5 for Bis(2-ethylhexyl) phthalate was published by Jack de Bruin, Frans Busser, Willem Seinen and Joop Hermens in the ‘Environmental Toxicology and Chemistry, Vol 8, pp 499-512, 1989. The chromatogram of the test item showed a resolved band of 6 signals. Although the determined value does not exactly meet the range of application of the test guideline (0.3 - 7.5), we consider the value as valid (measurement uncertainty +/- 0,5 log units).

For partition coefficient of the test item Butanal, reaction products with aniline follows:

Range of main peaks of the test item determined by HPLC, RT = 7.1 - 41.6 minutes. Log Pow = 4.3 - 7.9

Partition coefficient of main peaks of Butanal, reaction products with aniline determined by HPLC, calculated with area % and their corresponding Log Pow =5.9.