Registration Dossier
Registration Dossier
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EC number: 204-498-2 | CAS number: 121-79-9
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- The QMRF and QPRF for the QSAR calculation are available below (see attached background material).
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on information requirements and chemical safety assessment, chapter R.6: QSARs and grouping of chemicals, May 2008.
- GLP compliance:
- no
- Type of method:
- other: QSAR calculation, KOCWIN v2.00
- Media:
- other: organic carbon (simulated, QSAR)
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): propyl 3,4,5-trihydroxybenzoate
- SMILES: CCCOC(=O)c1cc(O)c(O)c(O)c1 - Radiolabelling:
- no
- Key result
- Type:
- Koc
- Value:
- ca. 492.3 L/kg
- Remarks on result:
- other: The Koc may vary by pH. The estimated value is applicable to the neutral pH range.
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The adsorption/desorption coefficient of propyl 3,4,5-trihydroxybenzoate was estimated to be 492.3 L/kg using the QSAR model KOCWIN v2.00.
- Executive summary:
The adsorption/desorption coefficient of propyl 3,4,5-trihydroxybenzoate was estimated to be 492.3 L/kg using the QSAR model KOCWIN v2.00.
Reference
Description of key information
The adsorption/desorption coefficient ofpropyl 3,4,5-trihydroxybenzoatewas estimated to be 492.3 L/kg using the QSAR model KOCWIN v2.00.
Key value for chemical safety assessment
- Koc at 20 °C:
- 492.3
Additional information
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Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
