Reaction mass of 1-hydroxypentan-2-yl formate and 2-hydroxypentyl formate and pentane-1,2-diol and pentane-1,2-diyl diformate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

11 Apr 2016 to 20 Apr 2016

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)

GLP compliance:

yes (incl. QA statement)

Remarks:

Swiss Federal Office for the Environment

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

>= -0.15 - <= 1.5

Temp.:

25 °C

Remarks on result:

other: pH value is not determined

Results

Under the chosen HPLC conditions the log Pow-value of the 4 most abundant peaks were found to be -0.15*, 0.87, 0.94 and 1.5.

* Log Pow was below the lowest Log Pow of the reference items published in the guideline.

Conclusions:

A log Kow of range of -0.15 to 1.50 (range of 4 peaks) at 25°C was determined for the test substance according to OECD 117.

Executive summary:

Since the test item is a mixture of severals compounds, the HPLC method was considered to be appropriate. Six reference items, recommended by the guideline, which have known log Pow-values in the range of 0.5 to 3.0 were used. The log Pow-values of the test item four most abundant peaks were found to be -0.15, 0.87, 0.94 and 1.50. The OECD guideline 117, HPLC Method, covers test items with log Pow in the range of 0 to 6 (this Guideline is therefore not suitable for the first peak (log Pow <0). Thus the first peak is at the boundary line of the method. However, it is also agreed that the HPLC method should be used for mixtures.

Description of key information

log Pow = -0.15 to 1.50 (range of 4 peaks) at 25°C (OECD 117)

Key value for chemical safety assessment

Log Kow (Log Pow):

1.5

at the temperature of:

25 °C

Additional information

Since the test item is a mixture of severals compounds, the HPLC method was considered to be appropriate. Six reference items, recommended by the guideline, which have known log Pow-values in the range of 0.5 to 3.0 were used. The log Pow-values of the test item four most abundant peaks were found to be -0.15, 0.87, 0.94 and 1.50. The OECD guideline 117, HPLC Method, covers test items with log Pow in the range of 0 to 6 (this Guideline is therefore not suitable for the first peak (log Pow <0). Thus the first peak is at the boundary line of the method. However, it is also agreed that the HPLC method should be used for mixtures.