Cashew (Anacardium occidentale) Nutshell Extract, Decarboxylated, Distilled, oligomerisation products with 1-chloro-2,3-epoxypropane

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

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

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

> 6.2

Temp.:

25 °C

Remarks on result:

other: PH value is not available

Reference Items

Retention Times Reference Items

Compound	RT
	min.
Thiourea	1.130
Acetophenone	1.760
Naphthalene	3.170
Diphenylether	3.780
Phenanthrene	4.720
Fluoranthene	5.890
Triphenylamine	8.930
DDT	11.680

Calculated Values

For each reference item, the calculated capacity factors, log K and log P_OWare presented in the following tbake.

Capacity factors Reference Items

Compound	Retention Time	K	log K	log POW
	min.	-	-	-
Thiourea	1.130	0.0000	-	-
Acetophenone	1.760	0.5575	-0.2537	1.70
Naphthalene	3.170	1.8053	0.2566	3.60
Diphenylether	3.780	2.3451	0.3702	4.20
Phenanthrene	4.720	3.1770	0.5020	4.50
Fluoranthene	5.890	4.2124	0.6245	4.70*
Triphenylamine	8.930	6.9027	0.8390	5.70
DDT	11.680	9.3363	0.9702	6.20*

*stated in EUMethod A.8

Dead time is 1.13 minutes.

Equation of the regression:
log k = 0.2751 * log P_OW– 0.73
with a coefficient of determination r²= 0.9929

Retention Times Test Item and Areas

Peak No.	Retention Time	Area	Rel.Area
	min.	mAU*min	%
1	10.79	0.105	0.8
2	19.82	0.163	1.2
3	23.87	0.514	3.9
4	26.5	0.174	1.3
5	31.08	0.69	5.2
6	34.31	0.651	4.9
7	36.06	0.357	2.7
8	38.01	4.285	32.4
9	41.86	0.134	1.0
10	47.68	0.336	2.5
11	58.56	1.653	12.5
12	80.81	0.454	3.4
13	100	3.727	28.1

As peaks 1 – 4, 6, 7, 9, 10 and 12 showed a relative area < 5%, they were considered as minor peaks.

Conclusions:

In a GLP-study according to OECD Test Guideline 117 (HPLC), the log Pow of the registered substance was determined to be > 6.2.

Executive summary:

The log Pow of the registered substance was determined in a GLP-study according to OECD Test Guideline 117 (HPLC).

The study was performed using a HPLC with a C18 column. Eight reference items with different retention times (including DDT as reference substance with the highest log P_OW) and thiourea for the determination of the dead time were used to produce a calibration curve, since retention time on hydrophobic columns and P_OWare correlated. The reference items were chosen on behalf of calculated log P_OW.
Different mobile phases (mixtures of methanol-water and of acetonitrile-water) were tested with the test item solution and compared with the reference substance mix. Because minor compounds (area < 5 %) are detected in the retention time range of the reference mix only, the main test with three injections of reference mix solution, three injections of test item solution and three injections of reference mix solution is not performed.

The test item solution showed peaks between 10.8 and 100 minutes. As peaks 1 – 4, 6, 7, 9, 10 and 12 showed a relative area < 5 %, they were considered as minor peaks. Although area is not necessarily correlated to absolute concentration if UV detection is used, it is believed that the test item CARDOLITE NC-513 consists mainly of peaks 5, 8, 11 and 13. Peaks 5, 8 and 11 gave retention times higher than the retention time of DDT with log P_OW6.2.

The log P_OWof the test item is therefore stated as > 6.2.

Description of key information

partition coefficient at 25°C (determined using OECD 117, HPLC method; GLP): log₁₀K_ow >6.20.

The limit value of 6.2 is based on the retention time of the reference substance (DDT).

Key value for chemical safety assessment

Log Kow (Log Pow):

6.2

at the temperature of:

25 °C

Additional information

In a GLP-study according to OECD Test Guideline 117 (HPLC), the log Pow of the registered substance was determined to be > 6.2.