Sodium propionate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 2017-07-21 to 2017-07-26

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

Qualifier:

according to guideline

Guideline:

other: Commission Regulation (EU) 2016/266 A.24. Partition Coefficient (n-Octanol/Water), High Performance Liquid Chromatography (HPLC) Method, EC Publication No. O.J. L54/1, 01 March 2016

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

TOXI-COOP Toxicological Research Center Zrt., H-8230 Balatonfüred, Arácsi u. 97-99, Hungary (+ 5 further Hungarian addresses)

Type of method:

HPLC method

Partition coefficient type:

other: Acetonitrile : Water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

< 0.3

Temp.:

20 °C

pH:

10

Table 1.: Measured and calculated data of the reference substances

Chemical name	log Pow OECD 117	Retention time (min)	log k  Calculated	Repeatability Δlog Pow log unit	Accuracy log unit	log Pow Calculated
Thiourea	-	2.71	-
		2.71
		2.70
		2.71
		2.71
		2.71
	Mean	2.71
	CV%	0.15
2-Butanone	0.3	4.82	-0.108	0.00	0.30	0.6
		4.82	-0.108			0.6
		4.82	-0.108			0.6
		4.82	-0.108			0.6
		4.82	-0.108			0.6
		4.82	-0.108			0.6
	Mean	4.82	-0.108			0.6
	CV%	0.00	-			-
Acetanilide	1.0	5.21	-0.034	0.00	0.26	0.7
		5.21	-0.034			0.7
		5.21	-0.034			0.7
		5.21	-0.034			0.7
		5.21	-0.034			0.7
		5.21	-0.034			0.7
	Mean	5.21	-0.034			0.7
	CV%	0.00	-			-
Benzyl alcohol	1.1	5.46	0.007	0.00	0.29	0.8
		5.46	0.007			0.8
		5.46	0.007			0.8
		5.46	0.007			0.8
		5.46	0.007			0.8
		5.46	0.007			0.8
	Mean	5.46	0.007			0.8
	CV%	0.00	-			-
Benzonitrile	1.6	11.75	0.524	0.00	0.19	1.8
		11.75	0.524			1.8
		11.76	0.524			1.8
		11.75	0.524			1.8
		11.75	0.524			1.8
		11.75	0.524			1.8
	Mean	11.75	0.524			1.8
	CV%	0.03	-			-
Acetophenone	1.7	10.58	0.463	0.00	0.02	1.7
		10.58	0.463			1.7
		10.59	0.464			1.7
		10.58	0.463			1.7
		10.58	0.463			1.7
		10.59	0.463			1.7
	Mean	10.58	0.464			1.7
	CV%	0.05	-			-
Ethyl benzoate	2.6	29.53	0.996	0.00	0.09	2.7
		29.51	0.995			2.7
		29.54	0.996			2.7
		29.55	0.996			2.7
		29.54	0.996			2.7
		29.54	0.996			2.7
	Mean	29.54	0.996			2.7
	CV%	0.05	-			-

Table 2: Measured and calculated data of test item

Test Item name	Retention time (min)	log k	log Pow	Pow	Repeatability log unit
		Calculated
Test item	2.44	not calculated
	2.43
	2.44
	2.43
	2.44
	2.43
Mean	2.44
Conf.int.(95%)	0.01
CV%	0.22

Retention time measured for the test item (2.44 min) is lower than the retention time of the first eluting standard 2-Butanone (4.82 min). This result shows that log Pow of the retention time is lower than the calibrated range.

Conclusions:

Using the HPLC method the log Pow of the test item was determined to be < 0.3.

Executive summary:

A key study was conducted in accordance with OECD TG 117, Regulation (EU) 440/2008 method A.24 and OPPTS 830.7575 in order to determine the partition coefficient of the test substance using the HPLC method (reference 4.7-1). Retention time measured for the test item (2.44 min) was lower than the retention time of the first eluting standard 2-Butanone (4.82 min). This result shows that log P_ow of the test item was lower than the calibrated range. The log P_ow of the test item was determined to be < 0.3.

Description of key information

Using the HPLC method the log Pow of the test item was determined to be < 0.3. A QSAR estimation of the log Pow was performed and the log Pow was estimated to be -3.23.

Key value for chemical safety assessment

Log Kow (Log Pow):

-3.23

at the temperature of:

25 °C

Additional information

A key study was conducted in accordance with OECD TG 117, Regulation (EU) 440/2008 method A.24 and OPPTS 830.7575 in order to determine the partition coefficient of the test substance using the HPLC method (reference 4.7-1). Retention time measured for the test item (2.44 min) was lower than the retention time of the first eluting standard 2-Butanone (4.82 min). This result shows that log P_ow of the test item was lower than the calibrated range. The log P_ow of the test item was determined to be < 0.3.

In a supporting study, using KOWWIN v1.68 the log Pow of the test item was calculated to be -3.23 at 25 °C. The substance is within the applicability domain of the model. Thus, the estimation is assumed to be accurate.