No IUPAC name is currently defined for Cashew (Anacardium occidentale) Nutshell Extract, Decarboxylated, Distilled (“Distilled Grade”).

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

Remarks:

The study was conducted to Good Laboratory Practice.

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Deviations:

no

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

Pow

Partition coefficient:

> 60 900

Temp.:

40 °C

pH:

6.4

Type:

log Pow

Partition coefficient:

> 4.78

Temp.:

40 °C

pH:

6.4

Type:

Pow

Partition coefficient:

> 1 590 000

Temp.:

40 °C

pH:

6.4

Type:

log Pow

Partition coefficient:

> 6.2

Temp.:

40 °C

pH:

6.4

Details on results:

PRELIMINARY RESULTS:
Approximate solubility in n-octanol: >55.4% w/w
Approximate solubility in water: <0.00091% w/w
Approximate Pow: 60900
Log10 Pow: >4.78

DEFINITIVE TEST
Mean log10 Pow: >6.20
Partition coefficient: >1590000

Table 2: Retention times of thiourea

Dead time	Retention time (minutes)		Mean retention time (mins)
	Injection 1	Injection 2
Thiourea	2.839	2.865	2.852

Table 3: Retention times, capacity factors and log₁₀ Pow values for the reference substances

No.	Reference substance	Retention time (min)		Mean retention time (min)	Capacity factor (k)	log k value	log Pow value
		Injection 1	Injection 2
1	Benzonitrile	3.972	3.967	3.970	0.392	-0.407	1.6
2	Benzene	6.038	6.028	6.033	1.12	0.0474	2.1
3	Toluene	8.030	8.017	8.024	1.81	0.258	2.7
4	Naphthalene	9.852	9.833	9.843	2.45	0.389	3.6
5	Phenanthrene	18.530	18.503	18.517	5.49	0.740	4.5
6	DDT	54.875	54.914	54.895	18.2	1.26	6.2

Table 4: Retention times, capacity factors and log₁₀ Pow values of the test substance

Peak No.	Injection	Retention time (min)	Capacity factor (k)	log k value	log Pow value
1	1	71.990	>18.2	>1.26	>6.20
	2	71.994	>18.2	>1.26	>6.20
2	1	77.100	>18.2	>1.26	>6.20
	2	77.116	>18.2	>1.26	>6.20
3	1	85.159	>18.2	>1.26	>6.20
	2	85.178	>18.2	>1.26	>6.20

Executive summary:

The partition coefficient of Cashew nutshell Extract, Decarboxylated, Distilled (Distilled Grade) was determined in an OECD 117 Partition Coefficient (n-octanol/water) High Performance Liquid Chromatography (HPLC) test. This study was conducted to Good Laboratory Practice.

A preliminary assessment of the partition coefficient was made based on the approximate solubilities of the test material in n-octanol and water. This was conducted by visual assessment. The log₁₀ Pow was estimated to be >4.78

In the definitive test, test material (0.1128 g) was diluted to 100 ml with methanol. The dead time was determined by measuring the retention time of thiourea and a solution of reference standards was prepared in methanol. A calibration curve was constructed from the retention time data of thiourea and the reference substances and capacity factors (k) were calculated. The capacity factor of the test material was calculated and the log10 Pow determined with reference to the calibration curve.

The log₁₀ Pow was calculated to be >6.20.

This study is classified acceptable and satisfies the guideline requirement for a partition coefficient study.

Description of key information

The partition coefficient of Cashew nutshell Extract, Decarboxylated, Distilled (Distilled Grade) was determined in an OECD 117 Partition Coefficient (n-octanol/water) High Performance Liquid Chromatography (HPLC) test. This study was conducted to Good Laboratory Practice.The log10Pow was calculated to be >6.20. This study is classified acceptable and satisfies the guideline requirement for a partition coefficient study.

Key value for chemical safety assessment

Log Kow (Log Pow):

6.2