Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 953-797-0 | CAS number: 210300-09-7
- 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:
- supporting study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2014
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 106 (Adsorption - Desorption Using a Batch Equilibrium Method)
- Deviations:
- yes
- Remarks:
- Desorption coefficients were not determined as they are not required for ground water risk assessment.
- Qualifier:
- according to guideline
- Guideline:
- other: OPPTS 835.1230 Adsorption/Desorption (Batch Equilibrium)
- Deviations:
- yes
- Remarks:
- Desorption coefficients were not determined as they are not required for ground water risk assessment.
- GLP compliance:
- yes
- Type of method:
- batch equilibrium method
- Media:
- soil
Test material
- Reference substance name:
- 3-hydroxy-4-methoxypyridine-2-carboxylic acid
- Cas Number:
- 210300-09-7
- Molecular formula:
- C7H7NO4
- IUPAC Name:
- 3-hydroxy-4-methoxypyridine-2-carboxylic acid
Constituent 1
- Specific details on test material used for the study:
- Substance ID: 14C-X696872
Lot #: INV303815
Radiochemical purity: 99.4%
Specific activity: 26.1 μCi/mmol
Substance ID: 14C- X696476
Lot #: INV303736
Radiochemical purity: 96.5%
Specific activity: 26.7 μCi/mmol
Substance ID: 14C- X12264475
Lot #: INV303784
Radiochemical purity: 98.4%
Specific activity: 11.3 μCi/mmol
Substance ID: 14C- X12313581
Lot #: INV303854
Radiochemical purity: 99.5%
Specific activity: 26.5 μCi/mmol
Substance ID: 14C- X763024
Lot #: INV304984
Radiochemical purity: 98.0%
Specific activity: 28.9 μCi/mmol
Substance ID: X11963422
Lot #: INV304033
Radiochemical purity: 99.8%
Specific activity: 28.8 μCi/mmol - Radiolabelling:
- yes
Study design
- Test temperature:
- Ambient
Batch equilibrium or other method
- Analytical monitoring:
- yes
Matrix propertiesopen allclose all
- Matrix no.:
- #1
- Matrix type:
- clay loam
- % Clay:
- 31
- % Silt:
- 26
- % Sand:
- 43
- % Org. carbon:
- 0.8
- pH:
- 6.9
- CEC:
- 19.2 meq/100 g soil d.w.
- Bulk density (g/cm³):
- 1.19
- Matrix no.:
- #2
- Matrix type:
- silt loam
- % Clay:
- 15
- % Silt:
- 55
- % Sand:
- 30
- % Org. carbon:
- 3.9
- pH:
- 5.8
- CEC:
- 23 meq/100 g soil d.w.
- Bulk density (g/cm³):
- 1
- Matrix no.:
- #3
- Matrix type:
- loam
- % Clay:
- 19
- % Silt:
- 35
- % Sand:
- 46
- % Org. carbon:
- 4.4
- pH:
- 7.2
- CEC:
- 26.6 meq/100 g soil d.w.
- Bulk density (g/cm³):
- 1.14
- Matrix no.:
- #4
- Matrix type:
- other: Light clay
- % Clay:
- 41
- % Silt:
- 23
- % Sand:
- 36
- % Org. carbon:
- 1.7
- pH:
- 7.6
- CEC:
- 9.2 meq/100 g soil d.w.
- Bulk density (g/cm³):
- 1.13
- Matrix no.:
- #5
- Matrix type:
- silt loam
- % Clay:
- 17
- % Silt:
- 57
- % Sand:
- 26
- % Org. carbon:
- 3.9
- pH:
- 5.8
- CEC:
- 14.5 meq/100 g soil d.w.
- Bulk density (g/cm³):
- 0.95
- Details on test conditions:
- Test concentrations:
Tier 1 and Tier 2 tests of X696872 were conducted at nominal concentrations of 0.05 μg/mL and 0.01 μg/mL. Freundlich adsorption coefficients were established at nominal concentrations of 0.001 μg/mL, 0.002 μg/mL, 0.01 μg/mL, 0.02 μg/mL and 0.1 μg/mL.
All Tier 1 tests of X696476 were conducted at nominal concentrations of 0.1, 0.3 and 1.5 μg/mL. Tier 2 of X696476 was performed at a nominal concentration of 0.3 μg/mL for M830 and M852 soil samples and at 1.5 μg/mL for M849, M850 and M853 soil samples. Freundlich adsorption coefficients were established at nominal concentrations of 0.01 μg/mL, 0.02 μg/mL, 0.1 μg/mL, 0.2 μg/mL and 1.0 μg/mL.
All Tier 1 tests of X12264475 were conducted at a nominal concentration of 0.1 μg/mL except that Teir 1 stability test was performed at 1.0 μg/mL. Tier 2 of X12264475 was performed at a nominal concentration of 0.1 μg/mL. Freundlich adsorption coefficients were established at nominal concentrations of 0.03 μg/mL, 0.09 μg/mL, 0.3 μg/mL, 0.9 μg/mL and 3.0 μg/mL.
Tier 1 and Tier 2 tests of X12313581 were conducted at a nominal concentration of 0.1 μg/mL and Freundlich adsorption coefficients were established at nominal concentrations of 0.01 μg/mL, 0.05 μg/mL, 0.1 μg/mL, 0.5 μg/mL and 1.0 μg/mL.
All Tier 1 tests of X763024 were conducted at a nominal concentration of 0.1 μg/mL except that Teir 1 stability test was performed at 0.5 μg/mL. Tier 2 of X763024 was performed at a nominal concentration of 0.1 μg/mL. Freundlich adsorption coefficients were established at nominal concentrations of 0.01 μg/mL, 0.05 μg/mL, 0.1 μg/mL, 0.5 μg/mL and 1.0 μg/mL.
Tier 1 and Tier 2 tests of X11963422 were conducted at a nominal concentration of 0.1 μg/mL and Freundlich adsorption coefficients were established at nominal concentrations of 0.03 μg/mL, 0.09 μg/mL, 0.3 μg/mL, 0.9 μg/mL, 3.0 μg/mL.
Results and discussion
Adsorption coefficientopen allclose all
- Key result
- Type:
- Kd
- Value:
- 24.7 dimensionless
- Matrix:
- Soil
- Remarks on result:
- other: average value of all 5 soils for the test substance X696872
- Key result
- Type:
- Kd
- Value:
- 701 dimensionless
- Matrix:
- Soil
- Remarks on result:
- other: average value of all 5 soils for the test substance X696476
- Key result
- Type:
- Kd
- Value:
- 9.38 dimensionless
- Matrix:
- Soil
- Remarks on result:
- other: average value of all 5 soils for the test substance X12264475
- Key result
- Type:
- Kd
- Value:
- 25.6 dimensionless
- Matrix:
- Soil
- Remarks on result:
- other: average value of all 5 soils for the test substance X12313581
- Key result
- Type:
- Kd
- Value:
- 14 dimensionless
- Matrix:
- Soil
- Remarks on result:
- other: average value of all 5 soils for the test substance X763024
- Key result
- Type:
- Kd
- Value:
- 2.93 dimensionless
- Matrix:
- Soil
- Remarks on result:
- other: average value of all 5 soils for the test substance X11963422
- Key result
- Type:
- Koc
- Value:
- 1 180 dimensionless
- Matrix:
- Soil
- Remarks on result:
- other: average value of all 5 soils for the test substance X696872
- Key result
- Type:
- Koc
- Value:
- 33 572 dimensionless
- Matrix:
- Soil
- Remarks on result:
- other: average value of all 5 soils for the test substance X696476
- Key result
- Type:
- Koc
- Value:
- 424 dimensionless
- Matrix:
- Soil
- Remarks on result:
- other: average value of all 5 soils for the test substance X12264475
- Key result
- Type:
- Koc
- Value:
- 1 320 dimensionless
- Matrix:
- Soil
- Remarks on result:
- other: average value of all 5 soils for the test substance X12313581
- Key result
- Type:
- Koc
- Value:
- 608 dimensionless
- Matrix:
- Soil
- Remarks on result:
- other: average value of all 5 soils for the test substance X763024
- Key result
- Type:
- Koc
- Value:
- 150 dimensionless
- Matrix:
- Soil
- Remarks on result:
- other: average value of all 5 soils for the test substance X11963422
Results: Batch equilibrium or other method
- Adsorption and desorption constants:
- X696872 adsorption Kd and Koc values averaged 25 ± 8 and 1180 ± 846, respectively. The X696872 Freundlich adsorption KF constants ranged between 12 and 26 with 1/n values of 0.90 to 1.03.
X696476 adsorption Kd and Koc values averaged 701 ± 397 and 33572 ± 31452, respectively. The X696476 Freundlich adsorption KF constants ranged between 94 and 495 with 1/n values of 0.77 to 0.85.
X12264475 adsorption Kd and Koc values averaged 9.4 ± 2.9 and 424 ± 267, respectively. The X12264475 adsorption KF constants ranged between 5.9 and 12 with 1/n values of 0.90 to 0.97.
X12313581 adsorption Kd and Koc values averaged 26 ± 10 and 1320 ± 791, respectively. The X12313581 adsorption KF constants ranged between 11 and 31 with 1/n values of 0.84 to 0.90.
X763024 adsorption Kd and Koc values averaged 14 ± 7.8 and 608 ± 400, respectively. The X763024 adsorption KF constants ranged between 6.2 and 20 with 1/n values of 0.90 to 0.94.
X11963422 adsorption Kd and Koc values averaged 2.9 ± 1.1 and 150 ± 118, respectively. The X11963422 adsorption KF constants ranged between 1.3 and 3.7 with 1/n values of 0.84 to 0.93. - Concentration of test substance at end of adsorption equilibration period:
- The average mass balance of X696872 in all five soils at the end of the adsorption phase was 97.1 ± 3.7% of the applied. After 4 hours of equilibration between 23.3% and 57.3% (average 38.2 ± 8.7%) of the applied X696872 was adsorbed across all tested soil types.
The average mass balance of X696476 in all five soils at the end of the adsorption phase was 95.3 ± 2.9% of the applied. After 6 hours of equilibration between 54.5% and 94.0% (average 79.5 ± 8.7%) of the applied X696476 was adsorbed across all tested soil types.
The average mass balance of X12264475 in all five soils at the end of the adsorption phase was 100.9 ± 3.1% of the applied. After 24 hours of equilibration between 31.2% and 62.6% (average 45.0 ± 8.3%) of the applied X12264475 was adsorbed across all tested soil types.
The average mass balance of X12313581 in all five soils at the end of the adsorption phase was 96.1 ± 4.0% of the applied. After 24 hours of equilibration between 32.1% and 63.9% (average 46.3 ± 8.3%) of the applied X12313581 was adsorbed across all tested soil types.
The average mass balance of X763024 in all five soils at the end of the adsorption phase was 100.0 ± 3.7% of the applied. After 24 hours of equilibration between 36.9% and 75.9% (average 54.2 ± 10.3%) of the applied X763024 was adsorbed across all tested soil types.
The average mass balance of X11963422 in all five soils at the end of the adsorption phase was 96.7 ± 3.9% of the applied. After 2 or 6 hours of equilibration between 33.7% and 71.6% (average 51.5 ± 8.6%) of the applied X11963422 was adsorbed across all tested soil types.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- No correlation was observed between soil pH and the sorption coefficients of any of the six XDE-777 aerobic soil metabolites tested.
- Executive summary:
The adsorption characteristics of six aerobic soil metabolites of XDE-777 (X696872, X696476, X12264475, X12313581, X763024 and X11963422) were studied in five soil types, a Yolo sandy clay (pH 6.9, 0.8% organic carbon) from the US, a Site E1 - Farditch Farm loam (pH 5.8, 3.9% organic carbon) from the UK, a Site K - Woodside Farm clay loam (pH 7.2, 4.4% organic carbon) from the UK, a Site J3 - Hareby House light clay (pH 7.6, 1.7% organic carbon) from the UK and a RefSol 03-G clay loam (pH 5.8, 3.9% organic carbon) from the Germany. To minimize microbial degradation during sorption tests, soil samples were sterilized by gamma radiation prior to equilibration with test materials. No desorption isotherms were calculated.
The experiment was conducted in accordance with the OECD Guideline for the Testing of Chemicals –Adsorption/Desorption-106 and the EPA OPPTS guideline. Sorptive characteristics of the test materials were determined in a batch equilibrium experiment.
The Tier 3 adsorption phase for all six metabolites was carried out by equilibrating sterilized soil with the desired test material at five nominal concentrations covering two orders of magnitude. Equilibration was conducted at ambient temperature and the equilibrating solution was 0.01 M CaCl2, with a soil: solution ratio determined in the Tier 1 tests. Samples were shaken on a horizontal shaker for an appropriate amount of time to maximize equilibration while minimizing hydrolysis of the test materials.
Soil and aqueous phases were separated by centrifugation after the adsorption steps. Soil samples of X696872, X12264475 and X11963422 were then subjected to an extraction procedure appropriate to remove the test compound from the soil. Radioactive residues in aqueous solution and organic extracts were assayed by LSC and analyzed by HPLC or LC-MS to determine the amount of test material present in each sample phase over the course of the study. As stability of X696476, X12313581 and X763024 during the adsorption phase was demonstrated in Tier 1 tests, soil samples of these three test materials were freeze-dried and portions were combusted to determine the amount of test material sorbed.
X696872 adsorption Kd and Koc values averaged 25 ± 8 and 1180 ± 846, respectively. The X696872 Freundlich adsorption KF constants ranged between 12 and 26 with 1/n values of 0.90 to 1.03.
X696476 adsorption Kd and Koc values averaged 701 ± 397 and 33572 ± 31452, respectively. The X696476 Freundlich adsorption KF constants ranged between 94 and 495 with 1/n values of 0.77 to 0.85.
X12264475 adsorption Kd and Koc values averaged 9.4 ± 2.9 and 424 ± 267, respectively. The X12264475 adsorption KF constants ranged between 5.9 and 12 with 1/n values of 0.90 to 0.97.
X12313581 adsorption Kd and Koc values averaged 26 ± 10 and 1320 ± 791, respectively. The X12313581 adsorption KF constants ranged between 11 and 31 with 1/n values of 0.84 to 0.90.
X763024 adsorption Kd and Koc values averaged 14 ± 7.8 and 608 ± 400, respectively. The X763024 adsorption KF constants ranged between 6.2 and 20 with 1/n values of 0.90 to 0.94.
X11963422 adsorption Kd and Koc values averaged 2.9 ± 1.1 and 150 ± 118, respectively. The X11963422 adsorption KF constants ranged between 1.3 and 3.7 with 1/n values of 0.84 to 0.93. The average mass balance of X696872 in all five soils at the end of the adsorption phase was 97.1 ± 3.7% of the applied. After 4 hours of equilibration between 23.3% and 57.3% (average 38.2 ± 8.7%) of the applied X696872 was adsorbed across all tested soil types.
The average mass balance of X696476 in all five soils at the end of the adsorption phase was 95.3 ± 2.9% of the applied. After 6 hours of equilibration between 54.5% and 94.0% (average 79.5 ± 8.7%) of the applied X696476 was adsorbed across all tested soil types.
The average mass balance of X12264475 in all five soils at the end of the adsorption phase was 100.9 ± 3.1% of the applied. After 24 hours of equilibration between 31.2% and 62.6% (average 45.0 ± 8.3%) of the applied X12264475 was adsorbed across all tested soil types.
The average mass balance of X12313581 in all five soils at the end of the adsorption phase was 96.1 ± 4.0% of the applied. After 24 hours of equilibration between 32.1% and 63.9% (average 46.3 ± 8.3%) of the applied X12313581 was adsorbed across all tested soil types.
The average mass balance of X763024 in all five soils at the end of the adsorption phase was 100.0 ± 3.7% of the applied. After 24 hours of equilibration between 36.9% and 75.9% (average 54.2 ± 10.3%) of the applied X763024 was adsorbed across all tested soil types.
The average mass balance of X11963422 in all five soils at the end of the adsorption phase was 96.7 ± 3.9% of the applied. After 2 or 6 hours of equilibration between 33.7% and 71.6% (average 51.5 ± 8.6%) of the applied X11963422 was adsorbed across all tested soil types.
No correlation was observed between soil pH and sorption of any of the test compounds.
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.