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EC number: 241-602-5 | CAS number: 17625-03-5
- 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
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- 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))
- Version / remarks:
- 22 Jan 2001
- 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))
- Version / remarks:
- 30 May 2008
- Deviations:
- yes
- Remarks:
- The reference item mix was not dissolved in the eluent but in a similar eluent composition: methanol/10 mM citrate buffer/water 50/45/5 % v/v/v instead of methanol/10 mM citrate buffer 55/45 % v/v.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
- Specific details on test material used for the study:
- Name sodium 3-sulfobenzoate
Batch no. 170103
Appearance White crystalline powder
Composition Sodium 3-Sulfobenzoate
CAS No. 17625-03-5
EINECS-No. 241-602-5
Molecular formula C7H5SO5Na
Molecular weight 224.17 g/mol
Purity > 99.0% (Titration with NaOH, Glass indicating electrode, Calomel reference electrode)
Homogeneity totally homogeneous
Expiry date 14. Feb. 2019
Storage Room Temperature (20 ± 5°C), keep away from humidity - Radiolabelling:
- no
- Test temperature:
- 25 ± 0.5 °C
- Details on study design: HPLC method:
- Reference Items
The substances which have been chosen taking into account the retention time of the test item sodium 3-sulfobenzoate are presented below. The reference items were dissolved in methanol and mixed with methanol to result in a solution with a composition similar to the mobile phase (methanol/10 mM citrate buffer/water 50/45/5 % v/v/v).
Substance CAS purity concentration injected
Acetanilid 103-84-4 99 % 1000 mg/L
Phenol 108-95-2 ≥99.0 % 1000 mg/L
Methylbenzoate 93-58-3 ≥99.5 % 1000 μL/L
3,5-Dinitrobenzamide 121-81-3 99.2 % 1000 mg/L
Naphthalene 91-20-3 ≥99.7 % 1000 mg/L
1,2,3-Trichlorobenzene 87-61-6 99.0 % 1000 mg/L
Pyrazophos 13457-18-6 98.5 % 1000 mg/L
Chemicals
Water
Water, H2O, HPLC grade.
10 mM Citrate Buffer
961.2 mg of citric acid monohydrate and 586.6 mg NaOH were dissolved in 400 mL HPLC grade water. pH was adjusted to 6.00 with NaOH solution and volume was filled up to 500 mL. 960.9 mg of citric acid monohydrate were dissolved in 400 mL HPLC grade water. pH was adjusted to 6.05 with NaOH solution and volume was filled up to 500 mL.
Methanol
Methanol, CH3OH, HPLC grade.
Sodium Nitrate
NaNO3, ≥ 99.5 %, 1000 mg/L in demineralised water, used as dead time marker.
Mobile Phase
A mixture of 55% methanol and 45% 10 mM citrate buffer pH 6, isocratic, was used. 550 mL methanol were mixed with 450 mL buffer. The temperature was held constant at 25.0 ± 0.5 °C by use of a HPLC column oven.
Test Item Solutions
Three test item solutions were prepared by weighing 20.0 mg sodium 3-sulfobenzoate into a 20 mL flask and filling up to 20.0 mL with mobile phase. 0.1 mL of each of these solutions was mixed with 0.9 mL mobile phase in a HPLC vial, resulting in solutions with test item concentrations of 100 mg/L, which were used for the measurements. Batch 20180202 was used for the pre-test, determination with batch 20180208 was not evaluable due to unsatisfactory column performance, batch 20180313 was used for the log KOC determination.
Test System
HPLC_7
Components:
- Solvent Rack
- Pump LPG-3400SD
- Autosampler WPS-3000TSL
- Column Compartment TCC-3200 with 6-fold column switch valve
- UV-Detector DAD-3000.
Manufacturer: Thermo Fisher Scientific
Software: CHROMELEON 6.80 SR15b Build 4981
Usage and calibration followed the corresponding SOP 114 00 529 in the current edition.
Method parameters HPLC
Column: Reprosil PurCN 125*4.6 mm, SN 50318 290202 with precolumn Phenomenex SecurityGuard CN, 4x3 mm
Eluent: isocratic, methanol/10 mM citrate buffer pH 6 55/45 (% v/v), degassed
Flow rate: 0.8 mL/min
Injection volume: 10 μL
Column temperature: 25.0 ± 0.5 °C
Wavelength for evaluation: 220 nm (reference mix); 254 nm (test item) - Analytical monitoring:
- yes
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- < 1.25 dimensionless
- Remarks on result:
- other: The test item elutes in the dead time of the method. This means, a determination will also result in a value <1.25 (log Koc of Acetanilide).
- Details on results (HPLC method):
- The test item elutes in the dead time of the method. This means, a determination will also result in a value “<1.25” (log Koc of Acetanilide).
- Validity criteria fulfilled:
- no
- Conclusions:
- The test item elutes in the dead time of the method. This means, a determination will also result in a value “<1.25” (log Koc of Acetanilide).
- Executive summary:
Estimation of the adsorption coefficient on soil and on sewage sludge of sodium 3-sulfobenzoate has been performed using HPLC according to OECD 121 resp. EU C.19. The test item elutes in the dead time of the method. This means, a determination will also result in a value “<1.25” (log Koc of Acetanilide).
Reference
Description of key information
Estimation of the adsorption coefficient on soil and on sewage sludge of sodium 3-sulfobenzoate has been performed using HPLC according to OECD 121 resp. EU C.19. The test item elutes in the dead time of the method. This means, a determination will also result in a value “<1.25” (log Koc of Acetanilide).
Key value for chemical safety assessment
- Koc at 20 °C:
- 1.25
Additional information
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.
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