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EC number: 235-741-0 | CAS number: 12645-31-7
- 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:
- Testing was conducted between 19 May 2011 and 06 August 2011.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.
- Qualifier:
- equivalent or similar 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:
- Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001.
- Deviations:
- no
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
- Version / remarks:
- The determination was carried out using the HPLC screening method, designed to be compatible with Method C19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- other: test item and reference standards prepared in methanol
- Radiolabelling:
- no
- Details on study design: HPLC method:
- Procedure:Preparation of sample solutionTest item (0.0543 g) was diluted to 50 ml with methanol and then further diluted by a factor of 20 using methanol (54.3 mg/l).Preparation of dead time solutionThe dead time was determined by measuring the retention time of formamide (purity 99.94%, 609 mg/l solution in mobile phase).Preparation of reference standard solutions:Solution of reference standards were prepared in methanol.Determination of retention timeThe sample, dead time and reference standard solutions were injected in duplicate using the following HPLC parameters:HPLC System:Agilent Technologies 1200, incorporating workstationColumn:Luna CN 5 µm (150 x 4.6 mm id)Column temperature:30ºCMobile phase:methanol : reverse osmosis water (55:45 v/v) Flow-rate:1.0 ml/minInjection volume:10 µlUV detector (standards)210 nmMass spectrometer detector (samples) :Source:electrosprayPolarity:negativeMode:single ion monitoringMass (m/z):209, 321 amuDrying gas flow:13 l/minDrying gas temperature:300°CNebuliser pressure:20 psiCapillary voltage:4500 VFragmentor voltage:100 VConstruction of calibration curve:A calibration curve was constructed from the retention time data of the dead time and reference standard solutions (Figure 12.1 in attachment 1 - attached background material)). The capacity factors (k) for the reference standards were calculated using Equation 12.1.Adsorption coefficient of sample:The capacity factor was calculated using Equation 12.1 See Calculations section within this summary and the log10 Koc value determined using Equation 12.2 with reference to the calibration curve (Figure 12.1 in attachment 1 - attached background material).
- Type:
- Koc
- Value:
- < 17.8
- Temp.:
- 30 °C
- Type:
- log Koc
- Value:
- < 1.25
- Temp.:
- 30 °C
- Transformation products:
- not measured
- Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient (Koc) of the test item has been determined to be less than 17.8 (log10 Koc <1.25).
- Executive summary:
Method
The determination was carried outusing the HPLC screening method, designed to be compatible with Method C19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001.
Discussion
The method guideline states that the measurement of adsorption coefficient should be carried out on substances in their ionised and unionised forms. However, the dissociation constants of certain functional groups found in the test item made it impossible to satisfy this criterion. Testing would be required at approximately pH 1 or below for the acidic functional groups to be in the unionised form. As a consequence of this, one of the functional groups will always be present in the ionised form. Therefore, as pH 1 or below is outside the environmental pH range for this test and also experimentally impractical, testing was carried out at approximately neutral pH with the functional groups ionised.
Conclusion
The adsorption coefficient (Koc) of the test item has been determined to be less than 17.8 (log10Koc <1.25).
Reference
Results
Calibration
The retention times of formamide and the retention times, capacity factors (k) and log10Kocvalues for the reference standards are shown in the two following tables:
Table 12.2
Dead Time | Retention Time (mins) | Mean Retention Time (mins) | |
Injection 1 | Injection 2 | ||
Formamide | 1.980 | 1.980 | 1.980 |
Table 12.3
Standard | Retention Time (mins) | Mean Retention Time (mins) | Capacity Factor (k) | Log10k | Log10Koc | |
Injection 1 | Injection 2 | |||||
Acetanilide | 2.468 | 2.470 | 2.469 | 0.247 | -0.607 | 1.25 |
Phenol | 2.454 | 2.455 | 2.455 | 0.240 | -0.620 | 1.32 |
Atrazine | 2.867 | 2.868 | 2.868 | 0.448 | -0.348 | 1.81 |
Isoproturon | 3.093 | 3.094 | 3.094 | 0.562 | -0.250 | 1.86 |
Triadimenol | 3.323 | 3.323 | 3.323 | 0.678 | -0.169 | 2.40 |
Linuron | 3.715 | 3.717 | 3.716 | 0.877 | -5.71 x 10-2 | 2.59 |
Naphthalene | 4.759 | 4.741 | 4.750 | 1.40 | 0.146 | 2.75 |
Endosulfan-diol | 3.758 | 3.749 | 3.754 | 0.896 | -4.78 x 10-2 | 3.02 |
Fenthion | 5.750 | 5.753 | 5.752 | 1.91 | 0.280 | 3.31 |
a-Endosulfan | 6.542 | 6.537 | 6.540 | 2.30 | 0.362 | 4.09 |
Phenanthrene | 7.856 | 7.841 | 7.849 | 2.96 | 0.472 | 4.09 |
DDT | 15.868 | 15.794 | 15.831 | 7.00 | 0.845 | 5.63 |
Injection | Retention Time (mins) | Capacity Factor (k) | Log10k | Log10Koc |
1 | 1.169 | <0.247 | <-0.607 | <1.25 |
2 | 1.172 | <0.247 | <-0.607 | <1.25 |
Mean log10 Koc: <1.25
Adsorption coefficient: <17.8
Description of key information
Log Koc = <1.25; Butler & White (2011); OECD 121 (HPLC Estimation Method)
Key value for chemical safety assessment
- Koc at 20 °C:
- 17.8
Additional information
In a single key study, the adsorption coefficient was determined in accordance with OECD Guideline 121 (HPLC Estimation Method). The adsorption coefficient (Koc) of the test item has been determined to be less than 17.8 (log10 Koc <1.25).
[LogKoc: 1.25]
[LogKoc: 1.25]
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