Condensation products of m-phenylenebis(methylamine) with condensation products of 4-methyl-m-phenylene diisocyanate with alcohols, C10-14 (even numbered) and condensation products of 4-methyl-m-phenylene diisocyanate with butyltriglycol

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:

2010

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Details on test material:

- Name of test material (as cited in study report): WS400517
- Physical state: Off-white to pale yellow powder
- Analytical purity: Not applicable (complex mixture)
- Lot/batch No.: HH-09-168
- Expiration date of the lot/batch: 21 January 2011
- Storage condition of test material: Room temperature in the dark

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Key result

Type:

log Pow

Partition coefficient:

2.2

Temp.:

25 °C

Remarks on result:

other: pH not relevant

Details on results:

The test substance, which eluted as a very broad range of peaks between approximately 1.6 and 3.2 minutes, was thus found to have log10Pow values ranging from 0.5 to 4.6. The main chromatographic component at approximately 1.9 minutes was determined to have a log10Pow value of 2.2.

Any other information on results incl. tables

Table 1: HPLC determination of log₁₀P_ow(pH 7 test)

  

Sample	Component	tr(minutes)	k	log10k	log10Pow
Standard Run A	Acetanilide	1.616	0.128	-0.891	1.0
(t0= 1.432 minutes)	Nitrobenzene	1.963	0.371	-0.431	1.9
	Ethylbenzoate	2.183	0.524	-0.280	2.6
	Bromobenzene	2.489	0.738	-0.132	3.0
	Benzylbenzoate	2.489	0.738	-0.132	4.0
	DDT	4.814	2.362	0.373	6.2
Sample A	test material	1.623 to 3.246	0.133 to 1.265	-0.877 to 0.102	0.5 to 4.6
(t0= 1.433 minutes)		(1.910)*	(0.333)*	(-0.479)*	(2.2)*
Sample B	test material	1.623 to 3.250	0.132 to 1.266	-0.880 to 0.103	0.5 to 4.6
(t0= 1.434 minutes)		(1.910)*	(0.332)*	(-0.478)*	(2.2)*
Standard Run B	Acetanilide	1.620	0.129	-0.890	1.0
(t0= 1.435 minutes)	Nitrobenzene	1.967	0.371	-0.431	1.9
	Ethylbenzoate	2.186	0.523	-0.281	2.6
	Bromobenzene	2.493	0.737	-0.132	3.0
	Benzylbenzoate	2.493	0.737	-0.132	4.0
	DDT	4.822	2.360	0.373	6.2

*: Main chromatographic component

 

Linear regression (based on mean of standard runs A and B): log₁₀P_ow= 4.19 log₁₀k + 4.16