N-benzylethylenediamine

Partition coefficient

Administrative data

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

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2019

Report date:

2019

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

N-benzylethylenediamine

EC Number:

223-984-5

EC Name:

N-benzylethylenediamine

Cas Number:

4152-09-4

Molecular formula:

C9H14N2

IUPAC Name:

N-benzylethane-1,2-diamine

Test material form:

liquid

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Key result

Type:

log Pow

Partition coefficient:

0.71

Temp.:

23 °C

pH:

11

Any other information on results incl. tables

Determination of log Pow at pH 11

Results

Analysis of the stock solutions

Stock solution	Concentration of test item nominal  [mg/l]	Concentration of test item found [mg/l]	Recovery    [%]
1	505.40	508.99	100.7
2	611.30	611.69	100.1

 

log Pow calculation

Test	Ctest item, nominal [mg/l]	Vwater [mI]	Vn-octanol [mI]	Cfound inwater [mI/l]	Cfound in n-octanol [mI/l]	Pow	log Pow
1a	505.40	10	20	90.4136	447.6149	4.9510	0.69
1b	505.40	20	20	78.3551	409.1665	5.2220	0.72
1c	505.40	20	10	67.1071	359.4809	5.3568	0.73
2a	611.30	10	20	111.9458	568.1600	5.0753	0.71
2b	611.30	20	20	98.9062	513.8130	5.1950	0.72
2c	611.30	20	10	82.9952	438.0427	5.2779	0.72
					Mean	5.1797	0.71
					SD	0.1458	0.01
					log Pow	0.71

 

 Recovery

Test	mexp [mg]	mfound buffer [mg]	mfound n-octanol [mg]	mfound total * [mg]	recovery [%]	pHbuffer**
1a	10.108	0.904	8.953	9.857	97.5	11.0
1b	10.108	1.567	8.183	9.750	96.5	11.0
1c	5.054	1.342	3.595	4.937	97.7	11.0
2a	12.226	1.119	11.363	12.483	102.1	11.0
2b	12.226	1.978	10.276	12.254	100.2	11.0
2c	6.113	1.660	4.380	6.040	98.8	11.0

* For calculation of the recovery the values of mtound- total were used.

** The mean of all pH values of the buffer phases: pH = 11 .

Remark: All results in the tables are calculated with non-rounded values.

log Pow = 0.71 at pH = 11 (mean pH value of all tested buffer phases) and T = 23 °C.

For further information the n-octanol solubility of the test item was investigated

The test item shows complete miscibility with n-octanol at at T = 23 °C and T = 20.0 °C ± 0.5 °C.