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Diss Factsheets
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EC number: 945-746-6 | 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
![](https://poisoncentres.echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_environmental-fate-and-pathways.png)
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:
- 18-20 January 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- This study was performed according to OECD Guideline 121 with GLP statement.
- 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))
- 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))
- Deviations:
- no
- Principles of method if other than guideline:
- Not applicable
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- UK GLP Compliance Programme (inspected on 17 June 2015 / signed on 24 September 2015)
- Type of method:
- HPLC estimation method
- Specific details on test material used for the study:
- No additional information
- Radiolabelling:
- no
- Test temperature:
- 30 °C
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: High performance liquid chromatograph and a cyanopropyl reverse phase HPLC column containing lipophilic and polar moieties
PREPARATION OF SOLUTIONS:
Preparation of the test item sample solution: Test item (0.1007 g) was diluted to 200 mL with methanol to give a concentration of 504 mg/L.
Preparation of the reference item solutions: Solutions of reference items were prepared in methanol (see following table 5.4.1/1).
MOBILE PHASES
- Type: methanol: water (55:45 v/v)
- pH of mobile phase: 6.5
DETERMINATION OF DEAD TIME
- The dead time was determined by measuring the retention time of formamide (purity 99.94%, 616 mg/L solution in a matrix of methanol: water (55:45 v/v)).
REFERENCE SUBSTANCES
- Identity: See Table 5.4.1/1: Reference item solutions
DETERMINATION OF RETENTION TIMES
- The sample, dead time and reference standard solutions were injected in duplicate using the following HPLC parameters:
HPLC System: Agilent Technologies 1200 series, incorporating autosampler and workstation
Column: Phenomenex Luna CN 5μm (150 x 4.6 mm id)
Column temperature: 30 ºC
Mobile phase: methanol: water (55:45 v/v)
pH of mobile phase: 6.5
Flow-rate: 1.0 mL/min
Injection volume: 10 μL
Method of detection: UV at 210 nm
EVALUATION
- A calibration curve was constructed from the retention time data of the dead time and reference standard solutions.
- Calculation of capacity factors k': (tr-t0)/t0
- Determination of the log Koc value:
Log10 Koc = (Log10k' - A) / B
A correlation of log k' versus log Koc of the reference standards was plotted using linear regression.
Note:
k' = capacity factor
tr = retention time (min)
t0 = dead time (min)
Koc = adsorption coefficient
A = intercept of the calibration curve
B = slope of the calibration curve - Key result
- Type:
- Koc
- Value:
- >= 150 - <= 3 940
- pH:
- 6.5
- Temp.:
- 30 °C
- Key result
- Type:
- log Koc
- Value:
- >= 2.18 - <= 3.6
- pH:
- 6.5
- Temp.:
- 30 °C
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration: The retention times of the dead time and the retention times, capacity factors (k') and log10Koc values for the reference standards, determined at a constant HPLC column temperature of 30 °C are shown in tables 5.4.1/2 and 5.4.1/3
- Adsorption coefficient of the sample: The retention times, capacity factor and log10 Koc value determined for the sample at a constant HPLC column temperature of 30 °C, are shown in Table 5.4.1/4 - Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient (Koc) of the test item has been evaluated to be in the range of 150 to 3940, log10 Koc 2.18 to 3.60.
- Executive summary:
The adsorption coefficient (Koc) for the test substance was determined using an HPLC screening method according to OECD 121 guideline with GLP compliance.
The test system utilized a high performance liquid chromatograph and a cyanopropyl reverse phase HPLC column containing lipophilic and polar moieties. The column temperature of 30 °C with a mobile phase consisting of 55 % methanol and 45 % water at pH 6.5. A 504 mg/L sample of the test substance was analyzed using HPLC method. Calibrations were performed using 13 reference items; retention times, capacity factors (k') and log10Koc values for the reference standards were determined at a constant HPLC column temperature of 30 °C. Dead time of the HPLC-system was determined with Formamide. The retention times, capacity factor and log10 Koc value determined for the test substance at a constant HPLC column temperature of 30 °C.
Peak Number
Injection
Retention Time (mins)
Capacity Factor (k')
Log10 k'
Log10 Koc
Mean Log10 Koc
Adsorption Coefficient
1
1
3.008
0.438
-0.359
2.18
2.18
150
2
3.008
0.438
-0.359
2.18
2
1
5.408
1.585
0.200
3.60
3.60
3.94 x 103
2
5.408
1.585
0.200
3.60
The adsorption coefficient (Koc) of the test item has been evaluated to be in the range of 150 to 3.94 x 103, log10 Koc 2.18 to 3.60.
Reference
Table 5.4.1/2: Retention times of the dead time
Dead Time
|
Retention Time (mins) |
Mean Retention Time (mins) |
|
Injection 1 |
Injection 2 |
||
Formamide
|
2.089 |
2.094 |
2.092 |
Table 5.4.1/3: Retention times, capacity factors (k') and log10Koc values for the reference standards
Reference Item |
Retention Time (mins)
|
Mean Retention Time (mins) |
Capacity Factor (k')
|
Log10 k'
|
Log10 Koc
|
|
Injection 1 |
Injection 2 |
|||||
Acetanilide |
2.444
|
2.444
|
2.444
|
0.168 |
-0.774 |
1.25 |
Phenol
|
2.405
|
2.400
|
2.403
|
0.149 |
-0.828 |
1.32 |
Atrazine
|
2.775 |
2.775 |
2.775 |
0.326 |
-0.486 |
1.81 |
Isoproturon
|
2.925 |
2.920 |
2.923 |
0.397 |
-0.401 |
1.86 |
Triadimenol
|
3.348 |
3.343 |
3.345 |
0.599 |
-0.222 |
2.40 |
Linuron
|
3.460 |
3.455 |
3.457 |
0.653 |
-0.185 |
2.59 |
Naphthalene
|
4.082 |
4.082 |
4.082 |
0.951 |
-2.17 x 10-2 |
2.75 |
Endosulfan-diol
|
3.800 |
3.805 |
3.802 |
0.818 |
-8.74 x 10-2 |
3.02 |
Fenthion
|
5.058 |
5.058 |
5.058 |
1.418 |
0.152 |
3.31 |
α-Endosulfan
|
7.566 |
7.556 |
7.561 |
2.614 |
0.417 |
4.09 |
Phenanthrene
|
6.778 |
6.783 |
6.781 |
2.242 |
0.351 |
4.09 |
Diclofop-methyl
|
7.376 |
7.381 |
7.379 |
2.527 |
0.403 |
4.20 |
DDT
|
21.526 |
21.531 |
21.528 |
9.292 |
0.968 |
5.63 |
Table 5.4.1/3: Adsorption coefficient of the sample
Peak Number
|
Injection
|
Retention Time (mins) |
Capacity Factor (k')
|
Log10 k'
|
Log10 Koc
|
Mean Log10 Koc
|
Adsorption Coefficient
|
1 |
1 |
3.008 |
0.438 |
-0.359 |
2.18 |
2.18 |
150
|
2 |
3.008 |
0.438 |
-0.359 |
2.18 |
|||
2 |
1 |
5.408 |
1.585 |
0.200 |
3.60 |
3.60 |
3.94 x 103 |
2 |
5.408 |
1.585 |
0.200 |
3.60 |
Log10 Koc range: 2.18 to 3.60
Adsorption coefficient range: 150 to 3.94 x 103
In the absence of any relevant dissociating functional groups, no specific manipulation of the mobile phase pH was necessary to achieve an unionized form of the test item. Therefore the determination was performed at an unadjusted, approximately neutral pH. By percentage area normalization, the distribution of the two peaks was 6.9% and 93.1% respectively.
Description of key information
OECD Guideline 121, EU Method C.19, GLP, key study, validity 1:
Koc = 150 to 3940; log Koc = 2.18 to 3.60.
Medium to slightly mobility in soils (according to P.J. McCall et al., 1981).
Key value for chemical safety assessment
- Koc at 20 °C:
- 3 940
Additional information
To assess the adsorption potential of the registered substance, one key experimental study is available.
This study (Envigo, 2016) was performed on the registered substance according to OECD Guideline 121 and EU Method C.19 (HPLC screening method) under GLP. According to this study, the adsorption coefficient of the registered substance has been evaluated to be in the range of 150 to 3940, corresponding to a log Koc comprised between 2.18 and 3.60. The result indicates that the substance has a medium to slightly mobility 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: 3.6]
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.
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