Registration Dossier
Registration Dossier
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EC number: 297-701-9 | CAS number: 93686-48-7
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Estimates of the adsorption coefficients were calculated using the predictive model KOCWIN, version 2.00 (September 2010) © 2000 - 2008, U.S. Environmental Protection Agency. The model uses a first order molecular connectivity index (MCI) and a series of statistically derived fragment correction factors.
Data source
Reference
- Reference Type:
- other: internal report
- Title:
- Unnamed
- Year:
- 2 013
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: ECHA Guidance Chapter R.6: QSARs and grouping of chemicals
- Principles of method if other than guideline:
- Because of the surfactant properties of the substance, determination of the adsorption coefficient was not possible using the HPLC screening method, Method C19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001. Estimates of the adsorption coefficients were calculated using the predictive model, KOCWIN, version 2.00 (September 2010) © 2000 - 2008, U.S. Environmental Protection Agency.
- GLP compliance:
- no
Test material
- Reference substance name:
- O(P(OCCCCCCCCCCCC)OCCCCCCCCCCCC)CCCCCCCCCCC
- IUPAC Name:
- O(P(OCCCCCCCCCCCC)OCCCCCCCCCCCC)CCCCCCCCCCC
- Reference substance name:
- O(P(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC)CCCCCCCCCCCCCC
- IUPAC Name:
- O(P(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC)CCCCCCCCCCCCCC
- Details on test material:
- As the substance is composed of different combination of dodecyl (C12) and tetradecyl (C14) phosphite, the calculation has been made consideringseparately phosphorous acid, tri-C12 alkyl ester and phosphorous acid, tri-C14 alkyl ester. The estimation of the adsorption coefficient values for these 2 substances is assumed to enclose the adsorption coefficient of the substance phosphorous acid, tri-C12-C14 alkyl esters.
Constituent 1
Constituent 2
Study design
- Test temperature:
- not relevant. Calculation made with model KOCWIN v2.00
Batch equilibrium or other method
- Analytical monitoring:
- no
- Details on sampling:
- not relevant. Calculation made with model KOCWIN v2.00
- Details on matrix:
- not relevant. Calculation made with model KOCWIN v2.00
- Details on test conditions:
- not relevant. Calculation made with model KOCWIN v2.00
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- log Koc
- Value:
- >= 10.9 - <= 13.4
- Remarks on result:
- other: The estimated log Koc values ranged from 10.9 (estimate from MCI) to 13.4 (estimate from Log Kowwin)
- Type:
- log Koc
- Value:
- >= 12.5 - <= 15.9
- Remarks on result:
- other: The estimated log Koc values ranged from 12.5 (estimate from MCI) to 15.9 (estimate from Log Kowwin)
Applicant's summary and conclusion
- Conclusions:
- The estimated adsorption coefficient values ranged from log Koc 10.9 to 15.9 for phosphorous acid, tri-C12 and tri-C14 esters. However, these values are out of the applicability domain of the model and should be considered with caution
- Executive summary:
The test item, which is made of different phosphorous acid alkyl esters, has a surface tension below 60 mN/m indicating surfactant properties. The HPLC screening method is not suitable for tensio-active substances or organic acids. Therefore, estimates of the adsorption coefficients were calculated using the predictive model KOCWIN version 2.00 (September 2010) © 2000 - 2008, U.S. Environmental Protection Agency, for the C12 and C14 esters. The estimated adsorption coefficient values ranged from log Koc 10.9 to 15.9 for phosphorous acid, tri-C12 and tri-C14 esters, respectively. These estimated partition coefficients are out of the applicability domain of the model and should therefore be considered with caution.
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