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Diss Factsheets
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EC number: 201-972-0 | CAS number: 90-17-5
- 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
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Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Estimated data generated using the EPI Suite program developed by the USEPA.
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- Prediction done using BCFBAF (v3.01) model
- GLP compliance:
- not specified
- Radiolabelling:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- not specified
- Water / sediment media type:
- natural water: freshwater
- Test temperature:
- 25 deg.C
- Reference substance (positive control):
- not specified
- Temp.:
- 25 °C
- Type:
- BCF
- Value:
- 162.2 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: estimated
- Remarks on result:
- other: Non-bioaccumulative
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bioconcentration factor (BCF) for test chemical is 162.2 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical is nonbioaccumulative in food chain.
- Executive summary:
Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bioconcentration factor (BCF) for test chemical is 162.2 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical is nonbioaccumulative in food chain.
Reference
BCFBAF Program (v3.01) Results:
==============================
SMILES : O=C(OC(c(cccc1)c1)C(CL)(CL)CL)C
CHEM : Benzenemethanol, .alpha.-(trichloromethyl)-, acetate
MOL FOR: C10 H9 CL3 O2
MOL WT : 267.54
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 2.21 (BCF = 162 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.117 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 1.67 (BAF = 47.1 L/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 3.85
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
No Applicable Correction Factors
Estimated Log BCF = 2.210 (BCF = 162.2 L/kg wet-wt)
Description of key information
Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bioconcentration factor (BCF) for test chemical is 162.2 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical is nonbioaccumulative in food chain.
Key value for chemical safety assessment
- BCF (aquatic species):
- 162.2 L/kg ww
Additional information
Predicted data study for target chemical and experimental studies for its structurally similar read across chemicals have been reviewed for bioccumulation endpoint and their results are summarized below
In first study using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bioconcentration factor (BCF) for test chemical was determined to be 162.2 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000.
To support above prediction experimental study was reviewed from authoritative database in this study the bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a log Kow of 1.9 and a regression derived equation.
The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 8.0 dimensionless.
Last study was also reviewed from authoritative database in this study the bioaccumulation study in aquatic organisms was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a log Kow of 3.15 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 3 dimensionless.
The BCF values of all above mentioned studies does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is considered to be non-bioaccumulative in aquatic organisms.
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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