Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
08 January 2016 - 06 June 2016
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 guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
2008
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
2004
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Version / remarks:
1996
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
(1R,3R,5S,6R,8S,10S,11S,13R,15S,16R,18R,20S,21R,23S,25S,26S,28R,30S,31R,33S,35S,36S,38R,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-5,10,15,20,25,30,35,40-octakis(bromomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.2³,⁶.2⁸,¹¹.2¹³,¹⁶.2¹⁸,²¹.2²³,²⁶.2²⁸,³¹.2³³,³⁶]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
EC Number:
611-044-0
Cas Number:
53784-84-2
Molecular formula:
C48H72Br8O32
IUPAC Name:
(1R,3R,5S,6R,8S,10S,11S,13R,15S,16R,18R,20S,21R,23S,25S,26S,28R,30S,31R,33S,35S,36S,38R,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-5,10,15,20,25,30,35,40-octakis(bromomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.2³,⁶.2⁸,¹¹.2¹³,¹⁶.2¹⁸,²¹.2²³,²⁶.2²⁸,³¹.2³³,³⁶]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
Test material form:
solid: particulate/powder
Details on test material:
- Appearance: off-white powder
- Storage condition of test material: At room temperature

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
3.5
Temp.:
20 °C
Remarks on result:
other: Non-buffered mobile phase
Details on results:
The chromatogram of the test substance solution showed one peak, with a retention time of 2.68 minutes (see attached background material).

Any other information on results incl. tables

Table: Results Partition coefficient n-octanol-water (HPLC method)

Substance

tr,1

[min]

tr,2

[min]

Mean tr (n=2)

log Pow

Pow

Formamide

0.707

0.708

0.708

 

 

2-Butanone

0.744

0.743

 

0.3

 

Nitrobenzene

1.222

1.222

 

1.9

 

Toluene

1.957

1.957

 

2.7

 

1,4-Dichlorobenzene

2.731

2.731

 

3.4

 

Biphenyl

3.443

3.443

 

4.0

 

1,2,4-Trichlorobenzene

4.076

4.078

 

4.2

 

Test item

2.678

2.675

2.677

3.5

3.0E03

 

Applicant's summary and conclusion

Conclusions:
The log Pow of the substance was determined to be 3.5.

Executive summary:

The log Pow of the substance was determined using the HPLC method in a GLP study according to EC A.8, OECD 117 and OPPTS 830.7570. The mobile phase was 60/40 (v/v) acetonitrile/water and the wavelength of detection 210 nm. In addition MS detection was used after the UV detection, to confirm the test item identity. Duplicate measurements were performed. Both chromatograms of the test substance solution (10 mg/L) showed one test item peak identified as Broomdex. The log Pow of the substance was determined to be 3.5 (Pow= 3.0E03).