Isopropylamine

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: 29 June 2009 Study completion date: 19 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 on 13th April 2004

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Version / remarks:

Directive 92/69/EEC, Official Journal L 383 A 1992

Deviations:

no

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:

-0.5

Temp.:

25 °C

pH:

7.5

Type:

Pow

Partition coefficient:

0.3

Temp.:

25 °C

pH:

7.5

Details on results:

See IUCLID section "Any other information on results incl. tables" below.

Summary of the results of the HPLC measurements of the reference substances and the test compound:

Sample no.^1)	tR1 [min]	tR2 [min]	tR [min]	k'	log k'(x)	log Pow (y)
0	0.77	0.77	0.77
1	1.79	1.79	1.79	1.325	0.122	0.3^2)
2	2.21	2.21	2.21	1.870	0.272	0.5^2)
3	2.77	2.78	2.78	2.610	0.417	0.9^2)
4	8.71	8.71	8.71	10.312	1.013	1.7^2)
5	14.22	14.22	14.22	17.468	1.242	1.9^2)
6	21.24	21.23	21.24	26.584	1.425	2.1^2)
Test item	1.01			0.312	-0.506	-0.51^3)
Test item		1.01		0.312	-0.506	-0.51^3)
Mean value						-0.5

1) For the names of the reference compounds see section "Any other information on materials and methods incl. tables".

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

3) Extrapolated from linearized function log Pow = f(log k' ) of the calibration data (an intrapolation could not be performed due to not existing reference compounds with lower log Pow data.)

The log Pow-values are within a range of +/- 0.1 units, thus the test ist satisfactory.

Log k´ was plotted against log Pow (ordinate) and linear regression was applied. Regression function:

y = 1.3884 * x + 0.1941; correlation coefficient of r = 0.9930.

Conclusions:

Partition coefficient n-octanol / water (Pow; OECD 117): Pow =0.3 / log Pow = -0.5 at a pH of 7.5

Executive summary:

The partition coefficient n-octanol / water (Pow) of the test item was determined in a GLP compliant study 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, with the following result:

Partition coefficient n-octanol / water (Pow): Pow = 0.3 / log Pow = -0.5 at a pH of 7.5

Description of key information

Partition coefficient n-octanol / water (Pow; OECD 117): Pow =0.3 / log Pow = -0.5 at a pH of 7.5 (25°C)

Key value for chemical safety assessment

Log Kow (Log Pow):

-0.5

at the temperature of:

25 °C

Additional information

The partition coefficient n-octanol / water (Pow) of the test item was determined in a GLP compliant study 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, with the following result:

Partition coefficient n-octanol / water (Pow): Pow = 0.3 / log Pow = -0.5 at a pH of 7.5 (25 °C)

Due to an experimentally determined pKa of 10.8 for isopropylamine, at pH 7.5 approximately 99.95 % will be dissociated based on the Henderson-Hasselbach equation. As such, the determined Pow may be taken as Dow and is environmentally relevant.

Pow for the non-dissociated state has not been determined in this study.