Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 946-937-7 | CAS number: -
- 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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 16 July 2009 to 27 September 2009
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: "The Guidelines for the testing of chemicals" State Environmental Protection Administration (SEPA) of China, No.106
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
- Media:
- soil
- Radiolabelling:
- no
- Test temperature:
- 22.5°C
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: Agilent triple quad 6410 LC/MS, USA
Column: ZORBAX SB C18 30 mm x 2.1 mm x 3.5 µm
-Conditions:
Current velocity: 0.4 mL/min
Column temperature: 40°C
Run time: 2 min
Testing volume: 1 µL
Mobile phase A: 0.1% formic acid in water (20%)
Mobile phase B: Acetonitrile (80%)
ESI(+) ionisation mode
Dry gas: N2; Gas flow: 11 L/min; Gas temperature: 350°C
Capillary: 4000 V
CALIBRATION CURVE
0.1 g (0.0001 g) of the test material was added into a 100 mL measuring flask, 80 mL acetonitrile was added to resolve, then it was diluted to the degree. The stock solution was diluted to give standard solutions 10, 8, 6, 4, 2, 1 and 0.1 ng/mL. The plot working curve was y = 20412x + 3878.4 R2 = 0.999.
LOD
100 pg/mL of test material treatment fluid is prepared for the LOD test and run 6 times. The LOD of the method can be calculated by SIN, LOD = 2.4 x10^-8 g/L.
PREPARATION OF TEST SOLUTION
The test material was weighed into the glass container, CaCl2 solution was added and it was oscillated for 48 h at 30°C. The test solution was then left to reach room temperature and the supernatant was filtered through a 0.45 µm pore size membrane filter. As the test solution was almost insoluble in CaCI2 solution, this study could not applicable with the standardised guideline.
SOILS
Standard soil samples were supplied by China Environmental Monitoring Station. Three types of soil with different characteristics in the cation changing, clay content, organic carbon and pH were used. They were ESS-1 (collected from Dehui Changchun), ESS-2 (collected from Jin Town Dalian) and ESS-3 (collected from Jinwanzi Changsha).
CONDITIONS
-Temperature: 22.5°C
-Relative humidity: 55%
METHODS
-Screening experiment
Adsorption test: The standard soil samples were weighed and mixed with CaCl2 solution (twice the soil weight) and gently oscillated for 24 hours before testing. The test solution was added (one/fifth of the soil weight) and oscillated for 24 hours. Each soil group set up a parallel and a blank sample, and set a blank without soil. The concentration of the test material was analysed by Agilent HPLC 1100. If the test material was non-adsorbing or showed weak adsorption (the adsorption rates less than 25%), then no desorption test was conducted. If the adsorption rates were more than 25%, a desorption test was conducted.
Desorption test: A certain volume of CaCl2 solution was added into the soils which were left from the adsorption test, and oscillated for 16 hours, then tested. The same volume of CaCl2 solution was added again and the process repeated. If the test material was easily desorbed, there was no need for further testing. If not, a further test was conducted to calculate the mass balance and adsorption isotherms.
-Further test
Adsorption test: The adsorption test was conducted with an appropriate concentration of test material solution to confirm equilibrium conditions (equilibrium time and equilibrium concentration), then the adsorption isotherms of the test material were calculated by conducting an adsorption test with 4 test solutions of different concentrations (approx. 0.04, 0.2, 1 and 5 mg/L) .
Mass balance: After adsorption equilibrium is reached, one concentration group is tested. Using a solvent in which the test material could be easily dissolved, the solution was extracted three times and the extraction solution tested. Methanol was used as an extraction agent in this experiment.
DATA PROCESSING
-Adsorption rate (A %) = 100 (G-CeV0)/G = 100X/G
-Desorption rate (D %) = 100 [(C1+C2)V ¿ (V0-V)Ce]/X
Where:
A = Adsorption rate at adsorption equilibrium (%)
D = Desorption rate (%)
G = The mass of control sample with only the test material in deionised water (g)
Ce = Concentration of the material in the aqueous phase after adsorption (mg/L)
V0 = Initial volume of test solution (mL)
C1 = The concentration of test material after the first desorption test (mg/L)
C2 = The concentration of test material after the second desorption test (mg/L)
V = Volume of the test solution after the desorption test (mL)
-Adsorption coefficient (K¿ and K¿oc)
K¿ = Cs/Ce
Cs = X/m
K¿oc = K¿ / organic carbon x 100%
Ce = C¿e + (C0 ¿ C1)
Where:
m = Mass of soil (g)
X = Mass of the absorbed material (µg)
K' = Adsorption coefficient
K'oc = Coefficient represents a single value which characterizes the partitioning mainly of non-polar organic chemicals between the organic carbon in the soil and water.
Cs = Concentration of the test material in soil after adsorption (µg/g)
Ce = Concentration of the test material in the aqueous phase after adsorption (mg/L)
C'e = Concentration of the test material in the aqueous phase (mg/L)
-Adsorption isotherms: lg (X/m) and lg(Ce) are plotted. If the plots are linear, the values of lgK and 1/n in the Freundlich adsorption isotherms equation X/m = KCe/n were calculated by regression analysis using the equation lg(X/m)= lgK + (1/n) lg(Ce) and calculated Koc, of the test.
-Mass Balance: The content of test material in solution at the beginning of the test, in the aqueous phase and in organic solvent were calculated, to check if the percentage of test material which can be analytically recovered after an adsorption test was close to the nominal amount of test material at the beginning of the test. - Key result
- Type:
- log Koc
- Value:
- 5.51
- Remarks on result:
- other: Estimated using prediction software
- Remarks:
- MCI method
- Key result
- Type:
- log Koc
- Value:
- 4.499
- Remarks on result:
- other: Estimated using prediction software
- Remarks:
- Kow method
- Details on results (HPLC method):
- -In the preliminary test and the screening test, the test material (at 25°C) in its CaCl2 solution was not detected and the LOD of analysis method is 2.4 x 10^-8/L. The solubility of test material in the CaCl2 solution is therefore less than 2.4 x 10^-8 g/L. This study could therefore not be performed in line with "The Guidelines for the testing of chemicals" State Environmental Protection Administration (SEPA) of China, No. 106, 'Adsorption/Desorption'.
-Therefore, the organic carbon adsorption coefficient of the reaction products was estimated using specialist chemical prediction software EPI-Suite v.4.0 Environmental Protection Agency, which could successfully predict the absorption coefficients of the reference substances. The predicted results were:
Koc: 3.235E+005 L/kg (MCI method)
Log Koc: 5.510 (MCI method)
Koc: 3.153E+004 L/kg (Kow method)
LogKoc: 4.499 (Kow method) - Conclusions:
- Under the conditions of this study the adsorption and desorption could not be determined in accordance with the guideline because of test material solubility. Therefore specialist chemical prediction software was used to generate estimated values, the predicted Koc was 3.235E+005 L/kg and the LogKoc was 5.510.
- Executive summary:
The adsorption/desorption of the test material was investigated in accordance with The Guidelines for the testing of chemicals" State Environmental Protection Administration (SEPA) of China, No. 106 under GLP conditions. Changchun, brown soil of Dalian and red soil of Changsha were used as the absorbents to conduct an adsorption/desorption study with soluble components of the test material in CaCl2 solution by the balance oscillating method. The results of the preliminary and screening tests indicated that the solubility of the test material in CaCl2 solution is less than 2.4 x 10-8 g/L, this study could therefore not be deemed to be applicable with the testing guideline that was used. Therefore, the organic carbon adsorption coefficient of the reaction products was estimated using specialist chemical prediction software EPI-Suite v.4.0 Environmental Protection Agency, which could successfully predict the absorption coefficients. The predicted Koc was 3.235 x 105 L/kg and the Log Koc was 5.510.
Reference
Description of key information
Under the conditions of this study the adsorption and desorption could not be determined in accordance with the guideline because of test material solubility. Therefore specialist chemical prediction software was used to generate estimated values, the predicted Koc was 3.235 x 105 L/kg and the Log Koc was 5.510.
Key value for chemical safety assessment
Additional information
The adsorption/desorption of the test material was investigated in accordance with The Guidelines for the testing of chemicals" State Environmental Protection Administration (SEPA) of China, No. 106 under GLP conditions. Changchun, brown soil of Dalian and red soil of Changsha were used as the absorbents to conduct an adsorption/desorption study with soluble components of the test material in CaCl2 solution by the balance oscillating method. The results of the preliminary and screening tests indicated that the solubility of the test material in CaCl2 solution is less than 2.4 x 10-8g/L, this study could therefore not be deemed to be applicable with the testing guideline that was used. Therefore, the organic carbon adsorption coefficient of the reaction products was estimated using specialist chemical prediction software EPI-Suite v.4.0 Environmental Protection Agency, which could successfully predict the absorption coefficients. The predicted Koc was 3.235 x 105 L/kg and the Log Koc was 5.510.
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.