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EC number: 613-198-4 | CAS number: 63302-43-2
- 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
- Endpoint:
- adsorption / desorption
- Remarks:
- adsorption
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 21 May 1996 to 19 August 1996
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP study conducted in accordance with a scentifically acceptable method with GLP certificate.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 996
- Report date:
- 1996
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The determination was carried out using an HPLC screening method. The procedure employed is that outlined in the draft "HPLC-Screening Method for the Determination of the Adsorption Coefficient on Soil - Comparison of Different Stationary Phases", W Kordel, J Stutte and G Kotthoff, Fraunhofer - Institut fur Umweltchemie and Okotoxikologie.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
Test material
- Reference substance name:
- N1-(5-methylhexan-2-yl)benzene-1,4-diamine
- Cas Number:
- 63302-43-2
- Molecular formula:
- C13H22N2
- IUPAC Name:
- N1-(5-methylhexan-2-yl)benzene-1,4-diamine
- Details on test material:
- Sponsor's identification: TRAE
Description: Very dark purple solid block
Label: Distilled TRAE Y-775 Jan30, 96 Naugatuck Rhyang
Date received: 22 April 1996
Constituent 1
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
Not applicable - Radiolabelling:
- no
Study design
- Test temperature:
- No data
HPLC method
- Details on study design: HPLC method:
- Determination of retention time:
The sample, formamide and reference standard solutions were injected in duplicate using the following HPLC parameters:
Column: Zorbax CN (250 x 4.6 mm id)
Mobile phase: pH 4.55 : acetonitrile:0.06M potassium dihydrogen orthophosphate (50:50) adjusted to pH 4.55 using orthophosphoric acid
pH 8.78 : acetonitrile:water (50:50)
Flow rate: 1 ml/min
Injection volume: 25 ul
Wavelength: dead time and references - 210 nm, sample - 240 nm
Temperature: 22 + 2 degrees C
As it was expected that TRAE would show a mode of dissociation, the determination as carried out using mobile phases of varying pH in order to measure the retention of both associated and dissociated species.
Calibration
Organic reference standards were prepared in acetonitrile at the concentrations indicated.
Sample
An aliquot (0.0489 g) of test material was diluted to 100 ml with acetonitrile.
Dead time
The dead time was determined by measuring the retention time of a 224 mg/l solution of formamide (purity 99.5%*).
Construction of calibration curve:
A calibration curve was constructed from the retention time data of the formamide and reference standard solutions. The capacity factors (k), for
the reference standards were calculated.
Adsorption coefficient or sample:
Capacity factors were calculated from the retention time data. Log10 Koc values were then determined with reference to the calibration curves.
Batch equilibrium or other method
- Details on sampling:
- Not applicable
- Details on matrix:
- Not applicable
- Details on test conditions:
- Not applicable
- Computational methods:
- Not applicable
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- Koc
- Value:
- 271
- Remarks on result:
- other: At pH = 4.55
- Type:
- log Koc
- Value:
- 2.43
- Remarks on result:
- other: At pH = 4.55
- Type:
- Koc
- Value:
- 8 280
- Remarks on result:
- other: At pH = 8.78
- Type:
- log Koc
- Value:
- 3.92
- Remarks on result:
- other: At pH = 8.78
Results: HPLC method
- Details on results (HPLC method):
- Dead time
The retention times determined for formamide are shown below:
pH 4.55
Retention time (min) for injection 1 and injection 2 = 2.661. Mean = 2.661
pH 8.78
Retention time (min) for injection 1 = 2.720, for injection 2: 2.723. Mean = 2.722
The retention times obtained for the calibration standards are detailed under any other information below.
Results: Batch equilibrium or other method
- Adsorption and desorption constants:
- Not applicable
- Recovery of test material:
- Not applicable
- Concentration of test substance at end of adsorption equilibration period:
- Not applicable
- Concentration of test substance at end of desorption equilibration period:
- Not applicable
- Details on results (Batch equilibrium method):
- Not applicable
- Statistics:
- Not applicable
Any other information on results incl. tables
The calibration curves are attached under background information below.
The retention times obtained for the calibration standards are shown below:
pH 4.55
Standard |
Retention time (mins) |
||
Injection 1 |
Injection 2 |
Mean |
|
Simazine |
4.540 |
4.538 |
4.539 |
Monolinuron |
5.644 |
5.636 |
5.640 |
Propazine |
5.707 |
5.705 |
5.706 |
Monuron |
4.752 |
4.752 |
4.752 |
Atrazine |
5.067 |
5.054 |
5.061 |
Phenamiphos |
6.153 |
6.131 |
6.142 |
Baytan |
5.636 |
5.620 |
5.628 |
Linuron |
6.674 |
6.662 |
6.668 |
Endosulfan alcohol |
6.604 |
6.604 |
6.604 |
Disulfoton |
10.737 |
10.695 |
10.716 |
Monceren |
10.907 |
10.906 |
10.907 |
Fenoxaprop-ethyl |
11.204 |
11.149 |
11.177 |
Alpha-endosulfan |
12.539 |
12.514 |
12.527 |
Pentachloronitrobenzene |
11.78 |
11.767 |
11.774 |
Cyfluthrin |
23.325 |
23.145 |
23.235 |
pH 8.78
Standard
|
Retention time (mins) |
||
Injection 1 |
Injection 2 |
Mean |
|
Simazine |
4.451 |
4.453 |
4.452 |
Monolinuron |
5.553 |
5.558 |
5.556 |
Propazine |
5.603 |
5.604 |
5.604 |
Monuron |
4.721 |
4.721 |
4.721 |
Atrazine |
4.980 |
4.985 |
4.983 |
Phenamiphos |
6.152 |
6.161 |
6.157 |
Baytan |
5.637 |
5.646 |
5.642 |
Linuron |
6.606 |
6.612 |
6.609 |
Endosulfanalcohol |
6.749 |
6.748 |
6.749 |
Disulfoton |
10.680 |
10.707 |
10.694 |
Monceren |
11.127 |
11.135 |
11.131 |
Fenoxaprop-ethyl |
11.378 |
11.394 |
11.386 |
Alpha-endosulfan |
12.731 |
12.753 |
12.742 |
Pentachloronitrobenzene |
12.081 |
12.093 |
12.087 |
Cyfluthrin |
25.165 |
25.203 |
25.184 |
The capacity factors, k, for the above standards were determined from the retention times. The capacity factors are shown in the tables below together with the literature values for Log10 koc.
pH 4.55
Standard
|
Capacity factor k |
Log10k |
Log10Koc |
Simazine |
0.706 |
-0.151 |
1.77 |
Monolinuron |
1.120 |
4.903E-02 |
1.78 |
Propazine |
1.144 |
5.854E-02 |
1.94 |
Monuron |
0.786 |
-0.105 |
1.99 |
Atrazine |
0.902 |
4.492E-02 |
2.11 |
Phenamiphos |
1.308 |
0.117 |
2.27 |
Baytan |
1.115 |
4.727E-02 |
2.39 |
Linuron |
1.506 |
0.178 |
2.62 |
Endosulfan-alcohol |
1.482 |
0.171 |
2.99 |
Disulfoton |
3.027 |
0.481 |
3.06 |
Monceren |
3.099 |
0.491 |
3.53 |
Fenoxaprop-ethyl |
3.200 |
0.505 |
3.87 |
Alpha-endosulfan |
3.707 |
0.569 |
4.06 |
Pentachloronitrobenzene |
3.424 |
0.535 |
4.29 |
Cyfluthrin |
7.732 |
0.888 |
4.53 |
pH 8.78
Standard |
Capacity factor k |
Log10k |
Log10Koc |
Simazine |
0.636 |
-0.197 |
1.77 |
Monolinuron |
1.041 |
1.759E-02 |
1.78 |
Propazine |
1.059 |
2.489E-02 |
1.94 |
Monuron |
0.735 |
-0.134 |
1.99 |
Atrazine |
0.831 |
-8.051E-02 |
2.11 |
Phenamiphos |
1.262 |
0.101 |
2.27 |
Baytan |
1.073 |
3.057E-02 |
2.39 |
Linuron |
1.428 |
0.155 |
2.62 |
Endosulfan-alcohol |
1.480 |
0.170 |
2.99 |
Disulfoton |
2.929 |
0.467 |
3.06 |
Monceren |
3.090 |
0.490 |
3.53 |
Fenoxaprop-ethyl |
3.184 |
0.503 |
3.87 |
Alpha-endosulfan |
3.682 |
0.566 |
4.06 |
Pentachloronitrobenzene |
3.441 |
0.537 |
4.29 |
Cyfluthrin |
8.254 |
0.917 |
4.53 |
Samples
The retention times of the test material are shown in the tables below:
pH 4.55
Injection
|
Retention time (mins) |
Capacity Factor k |
Log10k |
Log10Koc |
1 |
6.168 |
1.318 |
0.120 |
2.44 |
2 |
6.153 |
1.312 |
0.118 |
2.43 |
Mean Log10 Koc = 2.43
Koc = 271
pH 8.78
Injection
|
Retention time (mins) |
Capacity Factor k |
Log10k |
Log10Koc |
1 |
12.782 |
3.697 |
0.568 |
3.92 |
2 |
12.716 |
3.672 |
0.565 |
3.91 |
Mean Log10 Koc = 3.92
Koc = 8280
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The soil adsorption coefficient (Koc) values of the test substance are as follows:
pH 4.55: Koc = 271, Log10 Koc = 2.43
pH 8.78: Koc = 8280, Log10 Koc = 3.92 - Executive summary:
The soil adsorption coefficient of the test substance was determined using a HPLC screening method.
As it was expected that TRAE would show a mode of dissociation, the determination as carried out using mobile phases of varying pH in order to measure the retention of both associated and dissociated species.
The soil adsorption coefficient (Koc) values of the test substance are as follows:
pH 4.55: Koc = 271, Log10 Koc = 2.43
pH 8.78: Koc = 8280, Log10 Koc = 3.92
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