Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
adsorption / desorption
Remarks:
other: QSAR assessment of adsorption/desorption potential
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
16 February 2012
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Substance is a phosphite ester based UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is characterized using quantitative structure property relationships for representative structures that comprise the potential structures available for exposure. Calculations have been conducted using the US EPA EPIWIN KOCWIN V2.0 model, which is considered to be an appropriate tool for substances of this type. The full report is attached below under "Additional Background Information".

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2012

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Please refer to the full report attached below under "Additional Background Information".
GLP compliance:
no
Type of method:
other: QSAR
Media:
other: Not applicable

Test material

Constituent 1
Reference substance name:
-
EC Number:
432-130-2
EC Name:
-
Cas Number:
119345-01-6
Molecular formula:
Not applicable ( a generic molecular formula cannot be provided for this UVCB substance)
IUPAC Name:
Reaction products of phosphorous trichloride, with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol
Details on test material:
Not applicable.
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material (migrated information):
Not applicable

Study design

Test temperature:
Not applicable

HPLC method

Details on study design: HPLC method:
Not applicable

Batch equilibrium or other method

Analytical monitoring:
not required
Details on sampling:
Not applicable
Details on matrix:
Not applicable
Details on test conditions:
Not applicable
Computational methods:
Not applicable

Results and discussion

Adsorption coefficientopen allclose all
Type:
log Koc
Value:
>= 3.955 - <= 18.171
Remarks on result:
other: Calculated using KOWWIN v2.0
Type:
Koc
Value:
>= 9 010 - <= 10 000 000 000
Remarks on result:
other: Calculated using KOWWIN v2.0

Results: HPLC method

Details on results (HPLC method):
Not applicable

Results: Batch equilibrium or other method

Adsorption and desorption constants:
Not applicable
Recovery of test material:
Not applicable
Concentration of test substance at end of adsorption equilibration period:
Not applicable
Concentration of test substance at end of desorption equilibration period:
Not applicable
Details on results (Batch equilibrium method):
Not applicable
Statistics:
Not applicable

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
Alkanox P-EPQ is a reaction mass of phosphorous trichloride, with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol. It is a UVCB molecule, comprising of variable phosphite ester type products. The proposed water solubility of the substance is very low (<1 mg/l at RTP). As such, it is proposed that conducting an assessment of adsorption/desorption using an experimental study is not appropriate given the known properties of the substance in water. These difficulties were also observed during assessment of the partition coefficient value for the substance, resulting in a calculation method being applied.
It was therefore deemed appropriate to assess the potential Adsorption / Desorption nature using a QSAR methodology, rather than an experimental test. Following review of QSAR programmes, KOCWIN™ (V2.0) was selected for use in assessing the substance. On the basis of the calculated results using KOCWIN v2.0, the following values are proposed in support of the registration dossier:

Log Koc – Range of 3.9547 to 18.1712

Koc (L/Kg) – Range of 9010 to 1.00E+10

This is indicative of the potential the majority of the UVCB material to display high adsorption to soil / sludge, which is expected given the low water solubility. Further assessment of this endpoint is not required at the level of registration currently being applied, hence any further review would be conducted at the next level of registration.
Executive summary:

Alkanox P-EPQ is a reaction mass of phosphorous trichloride, with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol. Itis a UVCB molecule, comprising of variablephosphite ester type products.The proposed water solubility of the substance is very low (<1 mg/l at RTP).  As such, it is proposed that conducting an assessment of adsorption/desorption using an experimental study is not appropriate given the known properties of the substance in water. These difficulties were also observed during assessment of the partition coefficient value for the substance, resulting in a calculation method being applied. 

It was therefore deemed appropriate to assess the potential Adsorption / Desorption nature using a QSAR methodology, rather than an experimental test. Following review of QSAR programmes,  KOCWIN™ (V2.0) was selected for use in assessing the substance. On the basis of the calculated results using KOCWIN v2.0, the following values are proposed in support of the registration dossier:

 

Log Koc – Range of 3.9547 to 18.1712

 

Koc (L/Kg) – Range of 9010 to 1.00E+10

 

This is indicative of the potential the majority of the UVCB material to display high adsorption to soil / sludge, which is expected given the low water solubility. Further assessment of this endpoint is not required at the level of registration currently being applied, hence any further review would be conducted at the next level of registration.