Ethyl isovalerate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2015-02-12 to 2015-02-12

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)

Version / remarks:

2004

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

GLP compliance:

yes (incl. QA statement)

Remarks:

issued 05-11-2013

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

2.47

Temp.:

23.8 °C

pH:

7

Details on results:

The equation for the calibration graph was obtained by linear regression of the log POW of the reference items against the log k of the reference items.

Table 1: Retention times, Capacity Factors and Partition Coefficients of test item.

Test item	tR[min]	k	log k	log Pow
				1^stCalibration	2^ndCalibration
	4.826	8.83	0.946	2.47 ± 0.06 2.30 to 2.64 (95 % Cl)	2.46 ± 0.06 2.30 to 2.63 (95 % Cl)
	4.826	8.83	0.946
Mean	4.826	8.83	0.946	2.47

tR       : Retention time

k         : Capacity factor test item

Pow    : Partition Coefficient (n-octanol / water)

CI       : Confidence Interval

 

Two individual log POW values for the test item were derived under consideration of the first and second calibration. Finally, a mean value was calculated from these individual log POW values. Based on these data a log POW of 2.47 for the test item was determined.

The mean temperature of 23.8 °C was inside the ranges of 20 -25°C±1°C during the course of the study.

The HPLC void time (to) was determined by threefold injection of a solution of 5 mg/L NaNO3.

Serial no.	To [min]
1	0.489
2	0.491
3	0.493
MEAN	0.491

Regression Line: The correlation coefficient r for both calibartions was >0.9

	1st calibration	2^ndcalibration
Slope	2.139	2.125
Y-intercept	0.4475	0.4524
r²	0.9861	0.9870

 

Table 2: Calibration Data of the Reference Items

Reference item	log Pow	1^stCalibration			2^ndCalibration
		tR1[min]	k	log k	tR2[min]	k	log k
Acetanilide	1.0	1.416	1.88	0.274	1.419	1.89	0.276
Benzonitrile	1.6	1.992	3.06	0.486	1.993	3.06	0.486
Methyl benzoate	2.1	3.576	6.28	0.798	3.581	6.29	0.799
Atrazine^1)	2.6	3.661	6.46	0.810	3.667	6.47	0.811
Toluene	2.7	7.312	13.9	1.14	7.321	13.9	1.14
Phenyl benzoate	3.6	12.387	24.2	1.38	12.414	24.3	1.39
Biphenyl	4.0	24.271	48.4	1.68	24.365	48.6	1.69

t_R1         : Retention time 1. Injection

t_R2         : Retention time 2. Injection

k            : Capacity factor reference item

log Pow  : Decadic logarithm of the Partition Coefficient (n-octanol / water)

¹⁾           : Results of this reference item were determined to be an outlier outside the 95 % Cl and not taken into account.

 

Conclusions:

A log Pow of 2.47 was determined for the test item.

Executive summary:

The test item has a partition coefficient of 2.47 at 23.8°C as determined by HPLC method according to Regulation EC No. 440/2008 Method A.8, and OECD Test Guideline 117 (2004).

Description of key information

Partition coefficient: Log Pow = 2.47

Key value for chemical safety assessment

Log Kow (Log Pow):

2.47

at the temperature of:

23.8 °C

Additional information

The test item has a partition coefficient of 2.47 at 23.8°C as determined by HPLC method according to Regulation EC No. 440/2008 Method A.8.and OECD Test Guideline 117 (2004).