Reaction mass of pentadecylamine and tridecylamine and 2-Methyldodecylamine and 2-Methyltetradecylamine

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Study initiation date: 24 June 2009 Study completion date: 28. October 2009

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:

Adopted: 13 April 2004

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

GLP compliance:

yes

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

>= 6.1 - <= 8.1

Temp.:

25 °C

pH:

7.5

Details on results:

The broad range is an effect coming from i/n C13 and I/n C15 molecules as part of the substance.

Summary of the results of the HPLC measurements of the reference compounds and the test item:

Sample no.^1)	tR1 [min]	tR2 [min]	tR [min]	k‘	log k'(x)	log Pow (y)
0	0.81	0.81	0.81
1	1.41	1.40	1.41	0.741	-0.130	2.6^2)
2	1.56	1.57	1.57	0.938	-0.028	3.4^2)
3	2.07	2.07	2.07	1.556	0.192	4.0^2)
4	2.82	2.82	2.82	2.481	0.395	4.8^2)
5	4.09	4.10	4.10	4.062	0.609	5.7^2)
6	17.86	17.86	17.86	21.049	1.323	7.9^3)
Test item	5.70 -19.10			6.037 - 22.580	0.781 - 1.354	6.11 - 8.14^4)
Test item		5.70 - 18.96		6.037 - 22.407	0.781 - 1.350	6.11 - 8.13^4)
Mean value						6.1 - 8.1

1) For the names of the reference compounds see corresponding table in materials and methods section.

2) Results from the OECD guideline for the testing of chemicals No. 117: "Partition Coefficient (n-octanol/water), HPLC method" (13 April 2004).

3) W. Klein et al: Chemosphere, Vol. 17 No. 2, 361 -386 (1988)

4) Interpolated from linearized function log Pow = f(log k' ) of the calibration data.

The log Pow-values of the test item fall within a range of ± 0.1 units, thus the test is satisfactory

The following linear regression equation was obtained from the calibration substances:

y = 3.5491 * x + 3.3368 with

y being log Pow, and x being log k'.

The linear regression of log k' of the calibration substances against their log Pow has a correlation coefficient of r = 0.9954.

Conclusions:

Partition coefficient n-octanol / water (Pow, OECD 117): Pow = 1.26 x 10^6 - 1.26 x 10^8 / log Pow = 6.1 - 8.1 (pH 7.5; 25 °C).

Executive summary:

The partition coefficient n-octanol / water (Pow) of the test item was determined compliant with GLP according to OECD guideline no. 117 [adopted on 13 April 2004] and EU test method A.8 [Directive 92/69/EEC, Official Journal L 383 A 1992] with the HPLC method.

Partition coefficient n-octanol / water (Pow): Pow = 1.26 x 10⁶ - 1.26 x 10⁸ / log Pow = 6.1 - 8.1 (pH 7.5; 25°C).

Description of key information

Partition coefficient n-octanol / water (Pow, OECD 117): Pow = 1.26 x 10^6 - 1.26 x 10^8 / log Pow = 6.1 - 8.1 (pH 7.5; 25 °C).

Additional information

The partition coefficient n-octanol / water (Pow) of the test item was determined compliant with GLP according to OECD guideline no. 117 [adopted on 13 April 2004] and EU test method A.8 [Directive 92/69/EEC, Official Journal L 383 A 1992] with the HPLC method.

Partition coefficient n-octanol / water (Pow): Pow = 1.26 x 10⁶- 1.26 x 10⁸/ log Pow = 6.1 - 8.1 (pH 7.5; 25°C).