Registration Dossier
Registration Dossier
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EC number: 700-027-4 | CAS number: 17247-58-4
Bioaccumulation: aquatic / sediment
Administrative data
- Endpoint:
- bioaccumulation: aquatic / sediment
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- use of an acknowledged and reliable calculation method (ACD/LogD Suite) to obtain the Log Pow value and application of the relationships recommended by the Technical Guidance Document on Risk Assessment (Directive 98/8/EC) to calculate the Log BCF value from the Log Pow value
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
Test guideline
- Guideline:
- other: program ACD/LogD Suite and formulas from the Technical Guidance Document (TGD) for Risk Assessment
- Principles of method if other than guideline:
- The ACD/LogD Suite Program (Version 10, Advanced Chemistry Development, Toronto, Canada ) estimates the Log n-octanol/water partition coefficient (log POW) of organic chemicals by using a molecule fragment contribution method. The Log BFC value is estimated in a second step with the help of the equation Log BCF = 0.85*Log Pow – 0.7. The equation is taken from Technical Guidance Document (TGD) on Risk Assessments (Directive 98/8/EC).
- GLP compliance:
- no
Test material
- Reference substance name:
- (bromomethyl)cyclobutane
- EC Number:
- 700-027-4
- Cas Number:
- 17247-58-4
- Molecular formula:
- C5H9Br
- IUPAC Name:
- (bromomethyl)cyclobutane
Constituent 1
Test organisms
- Test organisms (species):
- other: QSAR, no organisms necessary
Study design
- Route of exposure:
- other: n.a.
- Test type:
- other: QSAR method (ACD/LogD Suite)/ formula from TGD
Test conditions
- Details on estimation of bioconcentration:
- The ACD/LogD Suite Program (Version 10, Advanced Chemistry Development, Toronto, Canada ) estimates the Log n-octanol/water partition coefficient (log POW) of organic chemicals by using a molecule fragment contribution method. The Log BFC value is estimated in a second step with the help of the equation Log BCF = 0.85*Log Pow – 0.7. The equation is taken from Technical Guidance Document (TGD) on Risk Assessments (Directive 98/8/EC)
Results and discussion
Bioaccumulation factor
- Type:
- other: Log BCF
- Value:
- 1.5 dimensionless
- Calculation basis:
- other: QSAR method
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The Log BCF value is calculated as 1.5. The value is not dependent on the pH value.
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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