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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
October 5, 2016 - March 8, 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes (incl. QA statement)
Remarks:
BASF SE Kompetenzzentrum Analytik, 67086 Ludwigshafen
Type of method:
HPLC method
Remarks:
with UV/Vis detector
Partition coefficient type:
octanol-water

Test material

1
Chemical structure
Reference substance name:
4-{[(6-{2,4,6-trioxo-3,5-bis[6-({[4-(prop-2-enoyloxy)butoxy]carbonyl}amino)hexyl]-1,3,5-triazinan-1-yl}hexyl)carbamoyl]oxy}butyl prop-2-enoate
EC Number:
929-915-1
IUPAC Name:
4-{[(6-{2,4,6-trioxo-3,5-bis[6-({[4-(prop-2-enoyloxy)butoxy]carbonyl}amino)hexyl]-1,3,5-triazinan-1-yl}hexyl)carbamoyl]oxy}butyl prop-2-enoate
Specific details on test material used for the study:
- Name as used in the study report: Hexamethylene diisocyanate, oligomers, reaction products with 4-Hydroxybutyl acrylate
- Batch identification: 360-71-3
- Expiry date: April 20, 2018
- Storage: ambient temperature

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
4.19
Temp.:
23 °C
pH:
6.1
Details on results:
 

Any other information on results incl. tables

Table: Individual Results

Component

tR[min] *

k'

log k'

log Pow

Formamide

1.4

 

 

 

Ethylbenzoate

4.2

2.08

0.318

2.6

Toluene

5.1

2.70

0.431

2.7

Ethylbenzene

6.6

3.82

0.582

3.2

Cumene

8.4

5.13

0.710

3.7

n-Butylbenzene

11.4

7.32

0.941

4.7

Bibenzyl

13.3

8.72

0.941

4.8

DDT

27.6

19.18

1.283

6.5
 Test item, Peak 1  6.8  3.96  0.598  3.4
 Test item Peak 2  8.6  5.31  0.725  4.0
 Test item, Peak 3  11.8 7.65   0.884  4.6
Test item, Peak 4  18.8  12 .76  1.106  5.6

Remark: All results are calculated with not rounded values.

Equation: log Pow = 4.1907 log k' + 0.9435

Solubility in n-octanol

Additionally the solubility of the test item in n-octanol was visually tested.

The miscibility of the test item in n-octanol at T = 23 °C is <10 mg/L.

Applicant's summary and conclusion