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EC number: 204-251-9 | CAS number: 118-45-6
- 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
- Study period:
- 2008
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- OECD Test Guideline 121 (2001) performed with hydrolysis product
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 008
- Report date:
- 2008
Materials and methods
Test guideline
- 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
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
Test material
- Reference substance name:
- 4-chlorophthalic acid
- EC Number:
- 201-886-3
- EC Name:
- 4-chlorophthalic acid
- Cas Number:
- 89-20-3
- Molecular formula:
- C8H5ClO4
- IUPAC Name:
- 4-chlorophthalic acid
- Details on test material:
- 4-Chlorophthalic acid (4-CLP acid; CAS #89-20-3), hydrolyzed from 4 Chlorophthalic anhydride (4-CLPA, CAS #118-45-6)
Constituent 1
Study design
- Test temperature:
- 25°C
HPLC method
- Details on study design: HPLC method:
- A 1.00 mg/mL 4-CLP acid stock solution was prepared by placing 0.0506 g of the test substance in a 50.0-mL volumetric flask and bringing it to volume with acetonitrile. This stock solution was divided into separate aliquots and stored refrigerated until injected on the instrument. A 1.00 mg/mL sodium nitrate reference standard stock solution was prepared by placing 0.00500 g of sodium nitrate in a 5.00-mL volumetric flask and bringing it to volume with acetonitrile. This stock solution was used to determine the dead time (t0) of the instrument, and was stored refrigerated until injected.
Reference standard stock solutions used in the determination of the Koc were prepared in acetonitrile using the following substances: acetanilide, aniline, benzoic acid phenylester, and phenanthrene.
HPLC method: Samples were analyzed by automated injection on a high performance liquid chromatographic system equipped with ultraviolet detection (HPLC/UV). The following instrumental conditions were utilized: Instrument: Hewlett Packard quaternary solvent pump Series 1100 equipped with a Hewlett Packard Series 1100 degasser and autosampler, a Hewlett Packard variable wavelength detector, a column heater and Hewlett Packard Version A.09.01 for data acquisition; Column: Zorbax SB-CN, 5-micrometers, 250 mm x 4.6 mm; Column Temperature: 25ºC; Mobile Phases: A: 100% 0.01 M sodium citrate tribasic; B: 100% acetonitrile; Flow Rate: 1.00 mL/minute; Injection Volume: 10.0 microL; and Wavelength: 210 nm. The dead time (t0) of the system was determined by making duplicate injections of sodium nitrate. Each remaining reference substance was analyzed in duplicate. A calibration graph was determined by plotting the log k’ versus corresponding log (Koc) for the reference substances.
The test substance was analyzed in duplicate. The capacity factor and log k’ were calculated and the log (Koc) determined from the calibration curve. The values of the log (Koc) from the duplicate measurement are considered acceptable when they fall within a range of +/ 0.25 log units.
Batch equilibrium or other method
- Computational methods:
- The adsorption distribution coefficient (Kd) is the ratio of the concentration of the test substance in the sewage sludge (Cs), and the concentration of the test substance in the aqueous phase (Caq) at the point of equilibrium. The adsorption coefficient (Koc) is the adsorption distribution coefficient (Kd) normalized with the organic carbon content of the sewage sludge (foc). The equations below show these relationships:
Kd = (Cs/Caq)
and
Koc= (Kd/foc)
where:
Cs is generally in units of microg/g and Caq is generally in units of microg/mL
The capacity factors (k’) for each reference standard compound with a known Koc value are determined by the equation:
k’=(tR-to)/to
where:
tR = the retention time of the test substance
to= the dead time (the average time a solvent molecule needs to pass through the column)
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- Koc
- Value:
- < 33.1 dimensionless
- Type:
- log Koc
- Value:
- < 1.52 dimensionless
Any other information on results incl. tables
Reference Standard Retention Times, Capacity Factors (k’), Log k’ and Log Koc Values
Sample Name |
Retention Time (min) |
k’ |
log k’ |
log Koc |
Acetanilide |
4.204 |
0.638 |
-0.195 |
1.52 |
Aniline |
4.401 |
0.715 |
-0.146 |
1.74 |
Benzoic Acid Phenylester |
7.967 |
2.104 |
0.323 |
3.26 |
Phenanthrene |
9.684 |
2.773 |
0.443 |
4.35 |
Acetanilide |
4.202 |
0.637 |
-0.196 |
1.52 |
Aniline |
4.398 |
0.714 |
-0.147 |
1.74 |
Benzoic Acid Phenylester |
7.938 |
2.093 |
0.321 |
3.26 |
Phenanthrene |
9.645 |
2.758 |
0.441 |
4.35 |
Results of the Koc coefficient determination with 4-CLP acid
Sample Name |
Retention Time (min) |
k’ |
log k’ |
Calculated log Koc |
Mean Log Koc |
Koc |
Mean Koc |
4-CLP acid |
2.494 |
less than |
NA* |
less than |
less than |
less than 33.1 |
less than 33.1 |
4-CLP acid |
2.496 |
less than |
NA |
less than |
less than 33.1 |
||
* NA=Not Applicable |
Mathematical extrapolation of the Koc value for 4-CLP acid
Sample Name |
Retention Time (min) |
k’ |
log k’ |
Calculated log Koc |
Mean Log Koc |
Koc |
Mean Koc |
4-CLP acid |
2.494 |
less than |
Less than |
less than |
less than |
less than |
less than |
4-CLP acid |
2.496 |
less than |
Less than |
less than |
less than |
Applicant's summary and conclusion
- Conclusions:
- The Koc for 4-CLP acid was determined to be <33.1, corresponding to a log Koc of <1.52.
- Executive summary:
The adsorption / desorption potential of the substance was determined in an OECD 121 study that was in compliance with GLP criteria. The potential was measured according to the HPLC estimation method at a test temperature of 25 °C. The mathematical extrapolation of the Koc given the retention time of 4-CLP acid compared to the standards employed in the study was estimated to be -6.13. Since the retention time of 4-CLP acid was lower than the retention time for acetanilide (the earliest eluting calibration standard identified in the OECD 121 guidelines), the Koc for 4-CLP acid was reported as less than 33.1, the Koc of acetanilide (log Koc of 4-CLP acid is less than 1.52).
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