Ethanol, 2,2'-oxybis-, reaction products with ammonia, morpholine derivs. residues

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2010-09-30 - 2010-11-05

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

comparable to guideline study

Qualifier:

equivalent or similar to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Sponsor's identification: Amine C8
Description: dark brown liquid
Batch number: T7-271109
Date received: 21 September 2010
Expiry date: 31 December 2011
Storage conditions: room temperature in the dark

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

< 0.3

Temp.:

20 °C

pH:

12

Remarks on result:

other: For 88.4% of the test item

Type:

log Pow

Partition coefficient:

0.565

Temp.:

20 °C

pH:

12

Remarks on result:

other: For 11.6% of the test item

Preliminary estimate

The test item was observed to be fully miscible with water. 

The test item was observed to be partly soluble in n-octanol at concentrations of 10 to 95% w/w. The mixtures were observed to be a single phase liquid but were cloudy and tested positive for the Tyndall effect. Since the test item was a complex mixture, it was considered that test item was mostly soluble in octanol but contained some less soluble fractions.

Approximate P_ow: <1
Log₁₀P_ow: <0

For definitive test - see overall remarks and attachments.

Conclusions:

The partition coefficient (Pow) of the test item has been determined to be in the range <2.00 to 3.67. The log10 Pow of the test item is <0.3 and 0.565 for the approximate percentage composition of 88.4% and 11.6% of test item respectively.

Executive summary:

Partition Coefficient. 

The partition coefficient was determined to range from <2.00 to 3.67, log₁₀P_ow <0.3 to 0.565 using the HPLC method, designed to be compatible with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008. The log₁₀ P_ow of the test item has been reported as follows: 

Percentage of Test Item (%)	Log10Pow
88.4	<0.3
11.6	0.565

Description of key information

The partition coefficient of the test substance was determined to be logPow < 0.3 (corresponding to 88.4% of the test item) and logPow = 0.565 (corresponding to 11.6% of the test item) at 20 °C using the HPLC method, designed to be compatible with EC test method A.8, under GLP conditions (Butler and White, 2010).

Key value for chemical safety assessment

Log Kow (Log Pow):

0.565

at the temperature of:

20 °C

Additional information

The test was performed at pH 12 at which the test item is predominantly in its non-dissociated form. Due to the nature of the substance (UVCB) a single octanol/water partition coefficient is not defined.

Testing was performed at pH ~12 to obtain the main test item components in their non-ionised form. However, no correction has been made since the test item was a complex mixture and it was not possible to assign the peaks with any one component of the test item. However, it can be assumed that at the environmentally relevant pH (pH 7), the partition coefficients of the main components will be less than 3.67 (log₁₀P_ow0.565), this value (logPow = 0.565) is advised for use in the CSA.

The retention times, capacity factors and log₁₀P_owvalues determined for the sample are shown in the following table:

 

Peak Number(s)		Injection		Retention Time (mins)		Capacity Factor (k)		Log10k		Log10Pow		Mean Log10Pow		Mean % Area
1		1		1.535		<0.343		<-0.465		<0.3		<0.3		0.760
		2		1.536		<0.343		<-0.465		<0.3
2		1		1.914		<0.343		<-0.465		<0.3		<0.3		22.1
		2		1.915		<0.343		<-0.465		<0.3
3		1		2.057		<0.343		<-0.465		<0.3		<0.3		65.5
		2		2058		<0.343		<-0.465		<0.3
4		1		2.526		0.399		-0.399		0.565		0.565		11.6
		2		2.527		0.400		-0.398		0.566

Mean log₁₀P_ow:      In the range <0.3 to 0.565
Partition coefficient:In the range <2.00 to 3.67