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EC number: 700-118-9 | CAS number: 676532-44-8
- 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
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:
- From 19 May 2016 to 28 July 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- 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:
- 2001
- Deviations:
- no
- 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))
- Version / remarks:
- 2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Date of inspection: 23 and 24 May 2013 / Date of signature: 16 September 2013
- Type of method:
- HPLC estimation method
- Media:
- other: Reverse phase HPLC on cyanopropyl-modified silica stationary phase containing lipophilic and polar moieties - separation of reference substances with known Koc.
- Specific details on test material used for the study:
- Batch No. : SC00017257
Purity : 97.6%
Date of Expiry : 15 April, 2018 - Radiolabelling:
- no
- Test temperature:
- 35°C
(The determination was performed at 35°C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Koc values were determined. Adsorption coefficients of the test and reference substances are assumed to vary with temperature in the same way). - Details on study design: HPLC method:
- EQUIPMENT
HPLC equipment, Perkin Elmer (series 200) HPLC system comprising:
- a high pressure pump (module N2910102, serial number 291N8051901A)
- an auto-sampler (module N2930100, serial number 293N8052404A)
- a column compartment (module N2601581, serial number OVH0802151130)
- a refractive index detector (series 200a, serial number 125829)
Column 250 mm x 4.6 mm, Nucleodur 100-5 CN-RP (Macherey-Nagel), serial number E15120578, batch 34514011
Flow rate 1.0 mL/min
Column temperature 35°C
Injected volume 100 µL
MOBILE PHASES
- Type: methanol/water 55/45 (v/v)
DETERMINATION OF DEAD TIME
- Method: Formamide is used as an unretained compound for the determination of the dead time t0.
REFERENCE SUBSTANCES
Individual solutions of these seven substances in methanol were prepared. On the day of the determination, a calibration mixture of these seven substances were prepared by mixing 2mL of each of the individual solutions and adding enough ultrapure water to obtain a solvent composition similar to the mobile-phase (11.45 mL)
- Identity: Formamide, 2-Nitrobenzamide, Methyl benzoate, Naphthalene, 1,2,3-Trichloro-benzene, Phenanthrene, 4,4-DDT.
HPLC PROCEDURE
A solution of the test substance was prepared (10.0 mg in 25 mL methanol/water 55/45 v/v). After equilibration of the HPLC system, the calibration mixture was injected first, followed by the test chemical solution twice and the calibration mixture again. Retention time tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Koc = f(log k) were also calculated from the data obtained with the calibration mixture and therewith log Koc of the test substance was determined from its measured capacity factor.
REPETITIONS
- Number of determinations: 2 - Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 3.7 dimensionless
- Temp.:
- 35 °C
- Key result
- Sample No.:
- #2
- Type:
- log Koc
- Value:
- 3.7 dimensionless
- Temp.:
- 35 °C
- Details on results (HPLC method):
- The chromatograms of the test substance show one peak at an average retention times of 10.42 minutes, corresponding to an adsorption coefficient (log value) of 3.7.
The determination was performed at 35°C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Koc values were determined. Adsorption coefficients of the test and reference substances are assumed to vary with temperature in the same way.
Linear regression parameters: log Koc = a * log k + b
Crrelation coefficient r = 0.9466
a = 2.5156
b = 2.7784
See graph in "Illustration" - Validity criteria fulfilled:
- yes
- Conclusions:
- log Koc = 3.7
- Executive summary:
The adsorption coefficient (Koc) on soil and on sewage sludge of the test substance was determined by the HPLC method according to the OECD Guideline 121 with GLP compliance. The reverse phase High Performance Liquid Chromatography on cyanopropyl-modified silica stationary phase, containing lipophilic and polar moieties, is used. While passing through the column among with the mobile phase the test substance interacts with the stationary phase. As a result of the partitioning between the mobile and stationary phase, the test substance is retarded. The dual-composition of the stationary phase having polar and non-polar sites allows for interaction of polar and non-polar groups of a molecule in a similar way as it is the case for organic matter in soil or sewage sludge matrices. This enables the relationship between the retention time on the column and the adsorption coefficient on organic matter to be established.
The result is: log Koc = 3.7
Reference
Table 5.4.1/1: Adsorption coefficient calculations
|
|
Log Koc |
tR1 |
tR2 |
tRmean |
k |
Log k |
Reference substances |
Formamide 2-Nitrobenzamide Methyl benzoate Naphthalene 1,2,3-Trichlorobenzene Phenanthrene 4,4-DDT |
1.45 1.80 2.75 3.16 4.09 5.63 |
3.154 3.686 5.212 7.793 9.122 12.655 29.608 |
3.156 3.684 5.206 7.764 9.091 12.565 29.336 |
3.16 3.69 5.21 7.78 9.11 12.61 29.47 |
0.168 0.651 1.465 1.886 2.997 8.341 |
-0.775 -0.186 0.166 0.276 0.477 0.921 |
Test substance |
|
10.418 |
10.421 |
10.420 |
2.3021 / 2.3030 k (mean) = 2.3025 |
0.3621 / 0.3623 Log k (mean) = 0.3622 |
tR1, tR2, tRm: retention times (1rst measurement, 2ndr measurement, average)
Description of key information
OECD 121 (HPLC), GLP, key study, validity 2:
Log Koc = 3.7;
Koc = 5012 L/kg;
The registered substance is immobile in soils (according to P.J. McCall et al., 1981).
Key value for chemical safety assessment
- Koc at 20 °C:
- 5 012
Additional information
To assess the adsorption potential of the registered substance, one key experimental study is available. This study was performed on the registered substance according to OECD Guideline 121 (HPLC screening method) under GLP conditions.
Solutions of reference substances were prepared in methanol for calibration: Formamide (for dead-time determination), 2 -Nitrobenzamide, Methyl benzoate, Naphthalene, 1,2,3 -Trichlorobenzene, Phenanthrene and 4,4 -DDT. On the day of the determination, a calibration mixture of these seven substances were prepared by mixing each of the individual solutions and adding enough ultrapure water to obtain a solvent composition similar to the mobile phase (methanol/water 55/45 v/v). A solution of the test substance was also prepared in the mobile phase.
After equilibration of the HPLC system, the calibration mixture was injected first, followed by the test chemical solution twice and the calibration mixture again. Retention time tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Koc = f(log k) were also calculated from the data obtained with the calibration mixture and therewith log Koc of the test substance was determined from its measured capacity factor.
The chromatograms of the test substance show one peak at an average retention times of 10.42 minutes, corresponding to an adsorption coefficient log Koc value at 3.7 and a Koc value at 5012 L/kg. The determination was performed at 35°C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Koc values were determined. Adsorption coefficients of the test and reference substances are assumed to vary with temperature in the same way.
In conclusion, the result indicates that the substance is immobile in soils (according to P.J. McCall et al., 19811).
1McCall P.J., Laskowski D.A., Swann R.L., and Dishburger H.J., (1981), “Measurement of sorption coefficients of organic chemicals and their use, in environmental fate analysis”, in Test Protocols for Environmental Fate and Movement of Toxicants. Proceedings of AOAC Symposium, AOAC,
Washington DC.
Mobility classification scheme:
Range of Koc | Mobility class |
0 - 50 | Very high |
50 - 150 | High |
150 - 500 | Medium |
500 - 2000 | Low |
2000 - 5000 | Slightly |
> 5000 | Immobile |
[LogKoc: 3.7, Koc = 5012]
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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