Registration Dossier
Registration Dossier
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EC number: 203-640-0 | CAS number: 109-02-4
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because the substance has a low octanol water partition coefficient and the adsorption potential of this substance is related to this parameter
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The Koc of the substance was calculated based on the approach presented in Franco and Trapp (2008), where regressions were developed to predict separately the Koc for the neutral and ionic molecule species of organic electrolytes from their log Kow and pKa values.
- GLP compliance:
- no
- Key result
- Type:
- Koc
- Value:
- 405 dimensionless
- pH:
- 5
- Key result
- Type:
- log Koc
- Value:
- 2.61 dimensionless
- pH:
- 5
- Key result
- Type:
- Koc
- Value:
- 347 dimensionless
- pH:
- 7
- Key result
- Type:
- log Koc
- Value:
- 2.54 dimensionless
- pH:
- 7
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The Koc of the substance was calculated following Franco & Trapp (2008) to be 405 and 347 (logKoc = 2.61 and 2.54) at pH 5 and 7, respectively.
Referenceopen allclose all
Description of key information
The Koc of the substance was calculated following Franco & Trapp (2008) to be 405 and 347 (logKoc = 2.61 and 2.54) at pH 5 and 7, respectively.
Key value for chemical safety assessment
- Koc at 20 °C:
- 347
Additional information
Since the test substance's physicochemical properties indicate a low potential for adsorption, no study needed to be conducted according to REACH Annex VIII 9.3.1 column 2. Nevertheless, estimates of the Koc were made according to Franco & Trapp (2008) in order to account for the charged molecule. The calculation according to Franco & Trapp (2008) shows Koc values of 405 and 347 (logKoc = 2.61 and 2.54) at pH 5 and 7, respectively. A pKa of 7.72 and a log Pow of -0.32 (uncharged molecule) were used as input-parameter.
As pH 7 is considered most representative as environmental pH, the related Koc is used as the key value for the chemical safety assessment.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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