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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
November 2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Qualifier:
according to guideline
Guideline:
other: Estimation Programs Interface Suite™ for Microsoft® Windows
Version / remarks:
v 4.11. United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
not specified
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
2-[2,4-bis(tert-pentyl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide
EC Number:
300-634-0
EC Name:
2-[2,4-bis(tert-pentyl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide
Cas Number:
93951-12-3
Molecular formula:
C28H39Cl2NO3
IUPAC Name:
2-[2,4-bis(tert-pentyl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide
Test material form:
solid
Details on test material:
Batch 44029
colour : White to off-white
retest date : 01/06/2019

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
> 6
Remarks on result:
not determinable because of methodological limitations
Key result
Type:
log Pow
Partition coefficient:
10.39
Remarks on result:
other: calculation
Details on results:
The HPLC method according to OECD 117 shows a logPow >> 6. The accurate result could not be determinated by this method.

A calculation method had been used in order to eslimate a value : Estimation Programs Interface (EPI) SuiteTM method from the US Environmental Protection Agency's Office of Pollution Prevention and Toxics and Syracuse Research Corporation (SRC).

Applicant's summary and conclusion

Conclusions:
LogP of 2-[2,4-bis(tert-pentyl) phenoxy]-N-(3,5-dichloro-4-ethyl-2 hydroxyphenyl)butyramide was calculated by the Estimation Programs Interface (EPI) SuiteTM software.
LogP estimated = 10.39

According to the HPLC method, the logP was estimated >> 6