Registration Dossier
Registration Dossier
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EC number: 294-304-2 | CAS number: 91697-43-7
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- 1. SOFTWARE
: see attached report
2. MODEL (incl. version number)
:see attached report
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
:see attached report
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
:see attached report
5. APPLICABILITY DOMAIN
:see attached report
6. ADEQUACY OF THE RESULT :see attached report - Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on Qsar
- Type:
- log Koc
- Value:
- 6.07 dimensionless
- Remarks on result:
- other: Qsar predicted value
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- 1. SOFTWARE
: see attached report
2. MODEL (incl. version number)
:see attached report
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
:see attached report
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
:see attached report
5. APPLICABILITY DOMAIN
:see attached report
6. ADEQUACY OF THE RESULT :see attached report - Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on Qsar
- Type:
- log Koc
- Value:
- 4.55 dimensionless
- Remarks on result:
- other: Qsar predicted value
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- 1. SOFTWARE
: see attached report
2. MODEL (incl. version number) :see attached report
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL :see attached report
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL :see attached report
5. APPLICABILITY DOMAIN :see attached report
6. ADEQUACY OF THE RESULT :see attached report - Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on Qsar
- Key result
- Type:
- log Koc
- Value:
- 5.38 dimensionless
- Remarks on result:
- other: Qsar predicted value
Referenceopen allclose all
Description of key information
No studies investigating the adsorption/desorption behaviour of Isobutyl (CAS No. 85865-69-6) are available. Using Qsar calculation, log Koc values of 5.38, 6.07, and 4.55 were calculated for the main fatty acid costituents (CAS 646 -13 -9, CAS 10024 -47 -2, CAS 37811 -72 -6). As worst case log Koc of 6.07 has been taken into consideration for the environmental risk assessment.
Key value for chemical safety assessment
- Koc at 20 °C:
- 6.07
Additional information
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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