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EC number: 700-102-1 | CAS number: 105112-76-3
- 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: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The test followed the guidelines given in EU Method C.19 and OECD Method 121 with no deviation.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 008
- Report date:
- 2008
Materials and methods
Test guidelineopen allclose all
- 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
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- The Department of Health of the Government of the United Kingdom
- Type of method:
- HPLC estimation method
- Media:
- soil
Test material
- Reference substance name:
- 3-{[4'-(3-aminophenoxy)-[1,1'-biphenyl]-4-yl]oxy}aniline
- EC Number:
- 700-102-1
- Cas Number:
- 105112-76-3
- Molecular formula:
- C24H20N2O2
- IUPAC Name:
- 3-{[4'-(3-aminophenoxy)-[1,1'-biphenyl]-4-yl]oxy}aniline
- Details on test material:
- - Name of test material (as cited in study report): 3,3-(4,4-biphenylendioxy)dianiline
- Physical state: Off-white powder
- Analytical purity: > 99 %
- Lot/batch No.: 20070501
- Expiration date of the lot/batch: 30 April 2008
- Storage condition of test material: Room temperature
- Other: Date of receipt 28 August 2007
Constituent 1
Study design
- Test temperature:
- 25 °C
HPLC method
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: HPLC
- Type: Hewlett Packard 1050 Liquid Chromatograph
- Type, material and dimension of analytical (guard) column: Hypersil CPS (25cm x 4.6 mm internal diameter)
- Detection system: UV set at 210 nm
MOBILE PHASES
- Type: Methanol:buffer solution (55:45 v/v), where phosphate and borate buffer solutions were employed for th pH 3 and pH 9 tests respectively
- Experiments with additives carried out on separate columns: no
- pH: 3 and 9
- Solutes for dissolving test and reference substances: HPLC mobile phase
DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column (formamide)
REFERENCE SUBSTANCES
- Identity: Acetanilide, Nitrobenzene, Naphthalene, 2-Methylnaphthalene, Anthracene, DDT
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 52 mg/L in HPLC mobile phase containing also formamide with a concentration of 259 mg/L
- Quantity of reference substances: Acetanilide (13.1 mg/L), Nitrobenzene (15.0 mg/L), Naphthalene (4.35 mg/L), 2-Methylnaphthalene (5.37 mg/L), Anthracene (11.8 mg/L), DDT (13.0 mg/L)
- Intervals of calibration: not reported
REPETITIONS
- Number of determinations:
pH 3 test: duplicate bracketed by DDT samples
pH 9 test: duplicate bracketed by reference samples
EVALUATION
- Calculation of capacity factors k': k = (tmeasure - tformamide)/tformamide
- Calculation of retention times: true retention time obtained by subtracting deadtime of internal deadtime standard (formamide) from measured retention time of sample or reference
- Determination of the log Koc value: Interpolation from mean calibration curve given by log10Koc = 3.49log10k + 4.01
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:
- 251 188
- Type:
- log Koc
- Value:
- 5.4
Results: HPLC method
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration: see Table 2
- Details of fitted regression line (log k' vs. log Koc): log10Koc = 3.49log10k + 4.01
- Graph of regression line attached
- Average retention data for test substance: see Table 2
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
Table 2: HPLC determination of log10Koc for 3,3-(4,4-biphenylenedioxy)dianiline at pH9
Sample |
Substance |
tr (min) |
k |
kog10k |
log10Koc |
Standard run A |
Acetanilide |
3.606 |
0.148 |
-0.83 |
1.3 |
(t0 = 3.141 min) |
Nitrobenzene |
4.167 |
0.327 |
-0.486 |
2.4 |
Naphthalene |
5.046 |
0.606 |
-0.217 |
2.8 |
|
2-Methylnaphthalene |
5.598 |
0.782 |
-0.107 |
3.9 |
|
Anthracene |
7.384 |
1.351 |
0.131 |
4.4 |
|
DDT |
11.485 |
2.656 |
0.424 |
5.6 |
|
Sample A |
Test substance |
11.069 |
2.525 |
0.402 |
5.4 |
(t0 = 3.140 min) |
|||||
Sample B |
Test substance |
11.063 |
2.521 |
0.402 |
5.4 |
(t0 = 3.142 min) |
|||||
Standard run B |
Acetanilide |
3.603 |
0.148 |
-0.83 |
1.3 |
(t0 = 3.139 min) |
Nitrobenzene |
4.163 |
0.326 |
-0.486 |
2.4 |
Naphthalene |
5.041 |
0.606 |
-0.218 |
2.8 |
|
2-Methylnaphthalene |
5.592 |
0.781 |
-0.107 |
3.9 |
|
Anthracene |
7.374 |
1.349 |
0.13 |
4.4 |
|
DDT |
11.461 |
2.651 |
0.423 |
5.6 |
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The test substance 3,3-(4,4-biphenylenedioxy)dianiline was found to have log10Koc values of greater 5.6 at pH 3 (highest value for DDT, test substance had higher retention time) and of 5.4 at pH 9.
- Executive summary:
The sorption behaviour of 3,3'-[biphenyl-4,4'-diylbis(oxy)]dianiline was tested with the HPLC method according to OECD Guideline No. 121 (Sydney et al. 2008). The tests were performed at pH 3 and pH 9 conditions. Such conditions were obtained by using methanol:buffer solutions (55:45% v/v) as the mobile phase in HPLC, where phosphate and borate buffer solutions were employed for the pH 3 and pH 9 tests, respectively. A limit test was performed only at pH 3 as initial testing had indicated that the retention time of the test substance was greater than that of the highest available reference material, DDT. Thus, it was indicated that the log10 KOC value was greater than 5.6 at pH 3. The adsorption coefficient of the test substance at pH 9 was determined from the capacity factor k by interpolation from the mean calibration curve obtained with an inert deadtime standard (formamide) and six reference substances with known log10 KOC values. A value for the log10 KOC for 3,3'-[biphenyl-4,4'-diylbis(oxy)]dianiline of 5.4 at pH 9 was obtained from the mean calibration curve produced by two tests.
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