Quaternary ammonium compounds, di-C12-18-alkyldimethyl, chlorides

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 March 05, 2010 to May 28, 2010

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

slow-stirring method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

ca. 4.8

Temp.:

25 °C

pH:

ca. 7

Remarks on result:

other: Average

Key result

Type:

Pow

Partition coefficient:

ca. 64 000

Temp.:

25 °C

pH:

ca. 7

Remarks on result:

other: Average

Details on results:

None

Results

Calculated log Pow values in preliminary test

Time	Log Pow
(hrs)	C22	C24	C26	C28
24	3.9	4.9	5.9	6.0
43	4.8	6.8 (*)	6.3	6.0
48	4.2	5.0	5.8	6.1
67	4.1	4.9	5.6	5.1
72	4.7	5.1	5.6	5.2
140	3.8	4.7	5.1	5.5
145	4.0	4.6	5.1	5.7
Mean	4.2	4.9	5.6	5.7
St. dev.	0.4	0.2	0.4	0.4

(*) defined as outlier acc. to Grubb’s (8.3)

Detailed results of conc. in different phases for multiple components of test substance

	Concentration test substance
	C22		C24		C26		C28
Time	Octanol	Water	Octanol	Water	Octanol	Water	Octanol	Water
(hrs)	µg/L	µg/L	µg/L	µg/L	µg/L	µg/L	µg/L	µg/L
24	3216272	410.9	3120944	35.5	3372860	4.7	3700860	3.7
43	2910208	42.6	2960500	0.5	3223441	1.5	3789309	3.5
48	4414256	264.3	4764435	44.2	5749922	8.7	8695731	7.1
67	2998441	215.3	3422600	41.5	4092150	10.5	5325764	39.0
72	3730102	77.5	4277718	36.2	5668420	13.8	8476754	48.4
140	2668338	384.6	2719240	59.9	2900646	22.1	4640476	14.4
145	2564174	286.6	2603065	61.4	2898958	23.2	5639192	10.3

Definitive test results (C-24)

Replicate	Octanol conc. µg/L	Water conc. µg/L	Pow	Log Pow
A	4035456	72.8	5.5E+04	4.7
B	4446954	69.1	6.4E+04	4.8
C	4511610	61.8	7.3E+04	4.9
Average			6.4E+04	4.8

Conclusions:

Under the study conditions, the Kow and log Kow values of the test substance were determined to be 64000 and 4.8 respectively.

Executive summary:

A study was conducted to determine the partition coefficient of the test substance, C12-18 DAQ (99.6% active), according to the OECD guideline 123, using the slow-stirring method, in compliance with GLP. The definitive test was performed in a 1 -octanol-saturated water system during the equilibration period as determined in the preliminary test. The definitive test was performed in triplicate. The pH value at the start of the test was adjusted to 7 and was also measured at the end of the test. Analysis of the test substance in both phases was performed using an appropriate analytical method using HPLC. Under the study conditions, the Kow and log Kow values of the test substance were determined to be 64000 and 4.8 respectively (Vos, 2010).

Description of key information

The partition coefficient of the test substance was determined using the slow-stirring method, according to OECD Guideline 123 (Vos, 2010).

Key value for chemical safety assessment

Log Kow (Log Pow):

4.8

at the temperature of:

20 °C