Phenol, ethoxylated

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

02/10/2019 - 03/10/2019

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:

no

Remarks:

Conducted in a GLP compliant laboratory but not as part of a formal GLP study.

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

ca. -0.12 - ca. -0.11

Temp.:

21.6 °C

pH:

8

Type:

log Pow

Partition coefficient:

ca. -1.07 - ca. -1.02

Temp.:

21.6 °C

pH:

8

Key result

Type:

log Pow

Partition coefficient:

ca. -1.07 - ca. -0.11

Temp.:

21.6 °C

pH:

8

Details on results:

1 peak was detected with UV and 2 with RI. The log Pow values range from -1.07 to -0.11. These results show all detected peaks have log Pow values less than 3.0 and are consistent with a material that has little tendency to accumulate in the environment. Phenol, ethoxylated was found to be miscible in 75:25 MeOH: pH8.0 buffer mobile phase which was injected directly onto the column and then run with 75:25 MeOH: pH8.0 buffer mobile phase.

The validity criteria states that the calibration standards (both UV and RI) should have R2 values greater than 0.95 and that the variation between test replicate peaks should be less than or equal to ±0.1 log units. Both these conditions were met for this test.

Conclusions:

The partition coefficient range for Phenol, ethoxylated was determined to be from -1.07 to -0.11.

Executive summary:

The partition coefficient of Phenol, ethoxylated was determined using the HPLC method, designed to be compatible with Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004. Phenol, ethoxylated was found to be miscible in 75:25 MeOH: pH 8.0 buffer mobile phase. The test material was injected onto the column of a High-Performance Liquid Chromatograph (HPLC) and then run with 75:25 MeOH: pH 8.0 buffer mobile phase. The relationship between the retention time of the material(s) and the n-octanol/water partition coefficient enabled the bioaccumulation potential of the test sample to be established. The partition coefficient was derived from the capacity factor k given by the expression: k= tR-t0/t0. Where: tR is the retention time of the test material (or a component) and t0 is the dead-time. Calibration graphs were generated for log k against log Pow (the partition coefficient), for the reference compounds, for both RI and UV detectors. As the capacity factor for the first peak was negative the log Pow could not be calculated. 1 peak was detected with UV and 2 peaks were detected with RI. The log Pow values for the attained peaks ranged from -1.07 to -0.11. The validity criteria states that the calibration standards (both UV and RI) should have R2 values greater than 0.95 and that the variation between test replicate peaks should be less than or equal to ±0.1 log units. Both these conditions were met for this test. Results showed that all detected peaks have log Pow values less than 3.0 and are consistent with a material that has little tendency to accumulate in the environment. Therefore, based on these findings the partition coefficient range for Phenol, ethoxylated was determined to be from -1.07 to -0.11.

Description of key information

The partition coefficient of Phenol, ethoxylated was determined using the HPLC method, designed to be compatible with Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004. Phenol, ethoxylated was found to be miscible in 75:25 MeOH: pH 8.0 buffer mobile phase. The test material was injected onto the column of a High-Performance Liquid Chromatograph (HPLC) and then run with 75:25 MeOH: pH 8.0 buffer mobile phase. The relationship between the retention time of the material(s) and the n-octanol/water partition coefficient enabled the bioaccumulation potential of the test sample to be established. The partition coefficient was derived from the capacity factor k given by the expression: k= tR-t0/t0. Where: tR is the retention time of the test material (or a component) and t0 is the dead-time. Calibration graphs were generated for log k against log Pow (the partition coefficient), for the reference compounds, for both RI and UV detectors. As the capacity factor for the first peak was negative the log Pow could not be calculated. 1 peak was detected with UV and 2 peaks were detected with RI. The log Pow values for the attained peaks ranged from -1.07 to -0.11. The validity criteria states that the calibration standards (both UV and RI) should have R2 values greater than 0.95 and that the variation between test replicate peaks should be less than or equal to ±0.1 log units. Both these conditions were met for this test. Results showed that all detected peaks have log Pow values less than 3.0 and are consistent with a material that has little tendency to accumulate in the environment. Therefore, based on these findings the partition coefficient range for Phenol, ethoxylated was determined to be from -1.07 to -0.11.

Key value for chemical safety assessment

Log Kow (Log Pow):

-0.11

at the temperature of:

21.6 °C