Registration Dossier
Registration Dossier
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EC number: 240-759-7 | CAS number: 16712-64-4
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption
- Remarks:
- adsorption
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method
Data source
Referenceopen allclose all
- Reference Type:
- grey literature
- Title:
- QSARs for soil sorption
- Author:
- Sabljic A and Güsten H
- Year:
- 1 995
- Bibliographic source:
- Overview of Structure-Activity Relationships for Environmental Endpoints. Hermens JLM (ed.)
- Reference Type:
- publication
- Title:
- Technical Guidance Document on Risk Assessment, PART III, Chapter 4: Use of (Quantitative) Structure Activity Relationships ((Q)SARs)
- Author:
- European Commission
- Year:
- 2 003
- Bibliographic source:
- European Chemicals Bureau (ECB), Ispra, Italy
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Technical Guidance Document, Part 3, Chapter 4
- GLP compliance:
- no
Test material
- Reference substance name:
- 6-Hydroxy-2-napthoic acid
- IUPAC Name:
- 6-Hydroxy-2-napthoic acid
- Reference substance name:
- 6-hydroxy-2-naphthoic acid
- EC Number:
- 240-759-7
- EC Name:
- 6-hydroxy-2-naphthoic acid
- Cas Number:
- 16712-64-4
- Molecular formula:
- C11H8O3
- IUPAC Name:
- 6-hydroxynaphthalene-2-carboxylic acid
- Details on test material:
- - Smiles notation: O=C(O)c(ccc(c1ccc2O)c2)c1
- Octanol-water partitioning coefficient (log Pow): 2.1
Constituent 1
Constituent 2
Study design
Batch equilibrium or other method
- Computational methods:
- The following formula valid for organic acids was used for the calculation:
logKoc = 0.60 logKow + 0.32
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- Koc
- Remarks:
- (given in L/kg)
- Value:
- 38.02
- Type:
- log Koc
- Remarks:
- (unitless)
- Value:
- 1.58
Any other information on results incl. tables
- Defined endpoint: Soil sorption coefficient Koc
- Unambiguous algorithm: logKoc = 0.60 logKow + 0.32
- Applicability of the domain: The formula is valid for all organic acids with a log Pow between -0.5 and 4.0.
- Statistical characteristics: n = 23, r² = 0.75, s.e. = 0.34
- Adequacy of prediction: The log Pow of 6 -HNA is 2.1, which falls within the applicability of the domain. Therefore, a sufficient adequacy of the model for predicting the soil sorption coefficient is given
Validity of the model:
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The adsorption coefficient (Koc) of 6-HNA was calculated as 38.02 L/kg, which corresponds to a log Koc of 1.58.
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