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Diss Factsheets
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EC number: 700-027-4 | CAS number: 17247-58-4
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_environmental-fate-and-pathways.png)
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption
- Remarks:
- other: QSAR method: program (ACD/LogD Suite)/ formulas from TGD
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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 Koc 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: QSAR method: (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 BCF and the Log Koc values can be deduced from the Log Pow value with the help of linear relationships as they are compiled in the Technical Guidance Document on Risk Assessment (TGD; Directive 98/8/EC). For the results obtained in this study, the equatation Log Koc = 0.81* Log Pow + 0.1 for predominantly hydrophobic substances is applicated.
- GLP compliance:
- no
- Type of method:
- other: QSAR method: program (ACD/LogD Suite)/ formulas from TGD
- Media:
- other: n.a.
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
Study design
Batch equilibrium or other method
- Computational methods:
- 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 BCF and the Log Koc values can be deduced from the Log Pow value with the help of linear relationships as they are compiled in the Technical Guidance Document on Risk Assessment (TGD; Directive 98/8/EC). For the results obtained in this study, the equatation Log Koc = 0.81* Log Pow + 0.1 for predominantly hydrophobic substances is applicated.
Results and discussion
Adsorption coefficient
- Type:
- log Koc
- Value:
- 2.2
- Temp.:
- 25 °C
Any other information on results incl. tables
The substance does not contain ionisable groups. As consequence, all partition coefficients are independent on the pH value.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The Log Koc is calculated as 2.2
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.
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.
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