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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 618-690-2 | CAS number: 90982-32-4
- 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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 983
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- A 100 ppm solution of [14C-phenyl-labeled)]-test substance in pH 7 buffer was repeatedly equilibrated with octanol until the Kow value became constant and the octanol and water phase samples were analyzed by thin layer chromatography to determine what fraction of the total 14C measured by liquid scintillation counting was test substance and Kow values were calculated based on these data.
- GLP compliance:
- not specified
- Type of method:
- other: Thin layer chromatography
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- ethyl 2-({[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)benzoate
- EC Number:
- 618-690-2
- Cas Number:
- 90982-32-4
- Molecular formula:
- C15H15ClN4O6S
- IUPAC Name:
- ethyl 2-({[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)benzoate
- Test material form:
- solid
- Remarks:
- White
- Details on test material:
- 95 to >99% purity
Constituent 1
- Specific details on test material used for the study:
- [14C-phenyl]-test substance
Radiochemical purity: > 99%
Study design
- Analytical method:
- other: Thin layer chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- Pow
- Partition coefficient:
- 1.3
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: measured
- Details on results:
- The "apparent" and corrected Kow values for the six consecutive partitioning experiments are listed in Table 1.
"Apparent" Kow values were calculated using the total 14C concentration data for each pair of octanol and water phase samples.
Corrected Kow values were calculated from the TLC analyses to correct for the actual concentration of test substance in each sample.
The relative fractions of test substance and other 14C-compounds was determined from scans of the TLC plates on the Berthold scanner.
The autoradiograms confirmed the 14C-compounds positions identified with the plate scanner. Extraneous 14C-compounds were only detected in the water phase samples and they increased in concentration with each partitioning step. The percentage of 14C-test substance in these samples decreased from 94 to 51% of the total radioactivity. As many as three compounds were detected in the water samples. They were not identified, but none of these compounds had the same Rf value as the principal hydrolysis product, 2-(aminosulfonyl) benzoic acid, ethyl ester. The compounds had lower Rf values than test substance and so were apparently more polar compounds.
After correcting the "apparent" Kow values for % test substance concentration, the Kow values became very reproducible after the first partitioning step. The average Kow of test substance is 1.3 ± 0.2, placing it in the category of compounds having a low bioaccumulation potential (Kow <100).
Any other information on results incl. tables
Table 1: Kow values for consecutive octanol/water partitionings of test substance at pH 7 and 25°C
Partition number |
Apparent Kow |
Corrected (log Pow) |
Average of No. 2-5 |
|
Kow |
Std Dev. |
|||
1 |
0.93 |
0.96 |
0.1 |
1.3 (Std.Dev – 0.2) |
2 |
1.28 |
1.3 |
0.1 |
|
3 |
1.21 |
1.2 |
0.1 |
|
4 |
0.94 |
1.4 |
0.3 |
|
5 |
0.61 |
1.4 |
0 |
|
6 |
0.18 |
- |
- |
Applicant's summary and conclusion
- Conclusions:
- log Kow of 1.3 at pH 7 and 25°C
- Executive summary:
An octanol/water partition coefficient (Kow) value of 1.3 was measured for the soybean herbicide candidate test substance, placing it in the class of compounds having low bioaccumulation potential (Kow <100). For the test, a 100 ppm solution of [14C-phenyl-labeled)]-test substance in pH 7 buffer was repeatedly equilibrated with octanol until the Kow value became constant. Octanol and water phase samples were analyzed by thin layer chromatography to determine what fraction of the total 14C measured by liquid scintillation counting was test substance and Kow values were calculated based on these data.
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.