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Diss Factsheets
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EC number: 205-094-9 | CAS number: 133-14-2
- 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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- estimated by calculation
- Adequacy of study:
- disregarded due to major methodological deficiencies
- Reliability:
- 3 (not reliable)
- Rationale for reliability incl. deficiencies:
- other: calculation, method known
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Software V11.02
- GLP compliance:
- no
- Type of method:
- other: calculation
- Water solubility:
- 0.38 mg/L
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: calculation
- Conclusions:
- Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The calculated water solubility of Bis(2,4-dichlorobenzoyl) peroxid is 0.38mg/L. - Executive summary:
Calculation is only estimation.The calculated water solubility of Bis(2,4-dichlorobenzoyl) peroxid is 0.38mg/L.
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2013
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- This program (WSKOWWIN) estimates the water solubility (WSol) of an organic compound using the compounds log octanol-water partition coefficient (Kow). WSKOWWIN requires only a chemical structure to estimate Wsol. Structures are entered into WSKOWWIN through SMILES (Simplified Molecular Input Line Entry System) notations. Users unfamiliar with SMILES notations can consult the document "A Brief Description of SMILES Notation". Chemical Abstract Service (CAS) Registry numbers may be used to enter SMILES notations automatically through use of a supplemental database containing SMILES for 108,000+ compounds.
The estimation methodology used by WSKOWWIN (Meylan and Howard, 1994a,b) is described in the following document prepared for the U.S. Environmental Protection Agency (OPPT): Upgrade of PCGEMS Water Solubility Estimation Method (May 1994). A companion document (Validation of Water Solubility Estimation Methods Using Log Kow for Application in PCGEMS & EPI) also discusses the methodology.
WSKOWWIN uses equations 19 and 20 from these documents because they are the best available equations for estimating Wsol.
Equation 19 is: log S (mol/L) = 0.796 - 0.854 log Kow - 0.00728 MW + Corrections
Equation 20 is: log S (mol/L) = 0.693 - 0.96 log Kow - 0.0092(Tm-25) - 0.00314 MW + Corrections
(where MW is molecular weight, Tm is melting point (MP) in deg C [used only for solids]) ... Corrections are applied to 15 structure types (eg. alcohols, acids, selected phenols, nitros, amines, alkyl pyridines, amino acids, PAHS, multi-nitrogen types, etc); application and magnitude depends on available MP. Equation 20 is used when a measured MP is available; otherwise, equation 19 is used. These equations were derived from a dataset consisting of 1450 compounds with measured log Kow, water sol, and MP. Eq 20 has the following statistical accuracy: correlation coefficient (r2) = 0.97, standard deviation = 0.409 log units, and absolute mean error = 0.313 log units. Application to a validation dataset of 817 compounds gave the following statistical accuracy: correlation coefficient (r2) = 0.902, standard deviation = 0.615 log units, and absolute mean error = 0.480 log units. - GLP compliance:
- no
- Type of method:
- other: calcuation
- Water solubility:
- 0.03 mg/L
- Temp.:
- 25 °C
- Details on results:
- WATERNT Program (v1.01) Results:
Water Solubility (mg/L) at 25 dec C = 1.0569
WSKOW v1.42) Results:
Water Solubility at 25 deg C (mg/L): 0.02993 - Conclusions:
- Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
The estimated water solubility of Bis(2,4-dichlorobenzoyl) peroxide is 0.02993 mg/L - Executive summary:
Using the SMILES code, the water solubility of Bis(2,4-dichlorobenzoyl) peroxide was estimated using two software packages within EPISUITE v4.10; WATERNT and WSKOW. The results were as follows:
WATERNT Program (v1.01): 1.0569 mg/L) at 25 dec C
WSKOW v1.42): 0.02993 mg/L at 25 deg C
The lower value of 0.02993 mg/L was used for risk assessment purposes
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- August 2011
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Well conducted study, based on OECD guideline 105, certificate of analysis included in the report.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- not applicable
- GLP compliance:
- no
- Type of method:
- other: slow stirring method
- Remarks:
- slow stirring method
- Water solubility:
- < 2 µg/L
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not reported
- Remarks:
- pH not reported
- Details on results:
- The determined final result for water solubility of the test substance was calculated to be lower than 2 µg/L, the detection limit.
- Conclusions:
- Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
The water solubility of Bis(2,4-dichlorobenzoyl) peroxid is less than 2 µg/L, the detection limit. - Executive summary:
The water solubility of bis(2,4-dichlorobenzoyl) peroxide was determined at a temperature of 20°C and based on OECD guideline 105. The data on water solubility represent the saturation mass concentration of the test substance in water.
Since the substance is insoluble the detection limit of the analysis was determined.
The water solubility of Bis(2,4-dichlorobenzoyl) peroxide is less than 2 µg/L, the detection limit.
Referenceopen allclose all
The determined final result for water solubility of the test substance was calculated to be lower than 2 µg/L. No values above the detection limit of 2 µg/L were detected at any tested time point.
Concentration test substance at different time points
Sample |
Time period |
Final conc. |
Average conc. |
Average conc. (µg/L) |
Px PD t=4 hours I |
4 |
< LOD |
< LOD |
< LOD |
Px PD t=4 hours II |
4 |
< LOD |
||
|
|
|
|
|
Px PD t=24 hours I |
24 |
< LOD |
< LOD |
|
Px PD t=24 hours II |
24 |
< LOD |
||
|
|
|
|
|
Px PD t=48 hours I |
48 |
< LOD |
< LOD |
|
Px PD t=48 hours II |
48 |
< LOD |
||
|
|
|
|
|
Px PD t=72 hours I |
72 |
< LOD |
< LOD |
|
Px PD t=72 hours II |
72 |
< LOD |
Description of key information
The results of an OECD 105 test indicate that the water solubility of Bis(2,4-dichlorobenzoyl) peroxide is less than 2 µg/L, the detection limit. An estimated value is used for risk assessment
Key value for chemical safety assessment
- Water solubility:
- 0.03 mg/L
- at the temperature of:
- 25 °C
Additional information
The water solubility of bis(2,4-dichlorobenzoyl) peroxide was determined at a temperature of 20°C and based on OECD guideline 105. The data on water solubility represent the saturation mass concentration of the test substance in water. Since the substance is insoluble the detection limit of the analysis was determined. The water solubility of Bis(2,4-dichlorobenzoyl) peroxide is less than 2 µg/L, the detection limit.
The water solubility was then estimated using 3 software packages, ACD Labs, WSKOW and WaterNT. The results were as follows:
ACDLabs v11.02: 0.38 mg/L
WATERNT (v1.01): 1.0569 mg/L
WSKOW v1.42): 0.02993 mg/L
The lowest value of 0.02993 mg/L was used for risk assessment
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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