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Diss Factsheets
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EC number: 279-087-4 | CAS number: 79135-87-8
- 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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Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- March from the 22th to the 29th, 2004
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Justification for type of information:
- Justification for read across is detailed in section 13.
- Reason / purpose for cross-reference:
- read-across source
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
- Version / remarks:
- adopted in January, 2001
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
- Test temperature:
- 25 °C
- Details on study design: HPLC method:
- TEST ITEM SOLUTION
The test item (31.29 mg) was dissolved in 100 ml methanol with aid of sonication to prepare a stock solution of 312.9 µg/ml. 2.5 ml of the stock solution were diluted with methanol to 50 ml to obtain a standard solution of 15.645 µg/ml.
EQUIPMENT
- Column: LiChrospher 100 CN, part. size 51 µm, 250 mm x 4 mm.
- Mobile phase: acetonitrile / 0.01 M citrate buffer solutiion (55:45; v/v).
- Mobile phase pH: 6.02
- Mobile phase temperature: 25 °C
- Injection volume: 20 µl
- Flow: 1.0 ml/min
- Detection system: UV-VIS detector; 350 nm for the test item and 2 0 nm for reference item and for sodium nitrate.
REFERENCE SUBSTANCES
- Identity: acetanilide, isoproturon, linuron, pyrazophos, diclofop-methyl, 2,4-DDT, sodium nitrate
REPETITIONS
- Number of determinations: the test item solution was injected three times and the reference item solutions were injected six times. - Type:
- Koc
- Value:
- < 18 dimensionless
- Remarks on result:
- not determinable because of methodological limitations
- Type:
- Koc
- Remarks:
- estimated by QSAR
- Value:
- 12 dimensionless
- Remarks on result:
- other: average of regression equations
- Details on results (HPLC method):
- Sodium nitrate that was used for the dead time determination was eluted at a retention time of about 2.29 minutes.
The test item was found to elute as two peaks at a retenton times of about 1.46 and 2.24 minutes.
The reference item with the lowest Koc was eluted at a retention time of about 3.16 minutes.
Since the test item was was not retained under the chromatographic conditions of the test and was eluted at the dead time, its Koc was determined to be lower than that one of the lowest reference item acetanilide. - Conclusions:
- Koc <18 (logKoc <1.25)
- Executive summary:
The determination of the adsorption coefficient was performed according to the OECD no. 121 (HPLC). The exact Koc value of the test substance could not be measured, since it was not retained under the chromatographic conditions of the test and was eluted at the dead time. Therefore, the Koc of the test substance was determined to be lower than the one of the lowest reference item acetanilide, i.e. <18 (or logKoc <1.25). In addition, in order to consolidate the findings, a QSAR estimation using different appropriate regression equations was performed, reporting an average Koc of 12.
Discussion and conclusion
Despite the determined adsorption coefficient value (logKoc <1.25) is slightly outside the applicability domain of the followed guideline (logKoc range from 1.5 to 5.0), the result in any case can be considered to adequately represent the soil-adsorption property. In fact, the Koc value is extremely low, suggesting that the substance is mobile in soli.
Koc <18 (logKoc <1.25)
Reference
Retention times in minutes of the reference items and the test item
Run 1 | Run 2 | Run 3 | Run 4 | Run 5 | Run 6 | |
Sodium nitrate (dead time) | 2.29 | 2.3 | 2.29 | |||
Reference items | ||||||
Acetanilide | 3.16 | 3.17 | 3.17 | 3.17 | 3.16 | 3.16 |
Isoproturon | 3.93 | 3.94 | 3.93 | 3.94 | 3.93 | 3.93 |
Linuron | 4.54 | 4.56 | 4.55 | 4.56 | 4.55 | 4.55 |
Pyrazophos | 5.58 | 5.59 | 5.59 | 5.6 | 5.58 | 5.58 |
Diclofop-methyl | 6.69 | 6.71 | 6.7 | 6.71 | 6.7 | 6.7 |
2,4-DDT | 8.72 | 8.74 | 8.73 | 8.75 | 8.73 | 8.74 |
Test substance | ||||||
Peak 1 | 1.46 | 1.46 | 1.46 | |||
Peak 2 | 2.26 | 2.24 | 2.23 |
Estimated Koc values from QSAR regression equations
Estimation method | Koc |
Regression I | 4 |
Regression II | 48 |
Regression III | 18 |
Regression IV | 24 |
Regression V | 1 |
Regression VI | 1 |
Regression VII | 2 |
Regression VIII | 1 |
Regression IX | 7 |
Average Koc (all regression) | 12 |
Description of key information
Koc <18 (log Koc < 1.25)
Key value for chemical safety assessment
- Koc at 20 °C:
- 12
Additional information
The substance resulted to be water soluble (solubility higher than 100 g/l) and the logPow was estimated to be lower than -2.
Since no experimental data is available for Optical Brightener 380, the information on the structural analogous Similar Substance 01 have been taken into consideration to investigate the adsorption potential. The read across approach can be considered reliable and appropriate to investigate the property (details for the approach are included into the IUCLID section 13).
The determination of the adsorption coefficient of Similar Substance 01 was performed according to the OECD no. 121 (HPLC). The exact Koc value of the test substance could not be measured, since it was not retained under the chromatographic conditions of the test and was eluted at the dead time. Therefore, the Koc of the test substance was determined to be lower than the one of the lowest reference item acetanilide, i.e. <18 (or logKoc <1.25). In addition, in order to consolidate the findings, a QSAR estimation using different appropriate regression equations was performed, reporting an average Koc of 12.
Despite the determined adsorption coefficient value resulted to be outside of the applicability domain of the followed guideline, the result can be considered as adequately representative and the estimated value has been used as representative for Optical Brightener 380. Accordingly, the suspended matter-water and soil-water partition coefficients were estimated, using EUSES v.2.1.2, for completeness sake.
Suspended matter-water partition coefficient: 15.8 (log Ksusp: 1.2)
Soil-water partition coefficient: 3.6 (log Ksoil: 0.56)
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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