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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
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- Version / remarks:
- 31. May 2008
- Deviations:
- yes
- Remarks:
- The temperature range 50 ± 0.5 °C was not held during the incubation phase. This was considered uncritical because the deviation of the average temperature was small, and the test item showed no signs of degradation at all three pH values.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Version / remarks:
- 13. Apr. 2004
- Deviations:
- yes
- Remarks:
- The temperature range 50 ± 0.5 °C was not held during the incubation phase. This was considered uncritical because the deviation of the average temperature was small, and the test item showed no signs of degradation at all three pH values.
- GLP compliance:
- yes (incl. QA statement)
- Specific details on test material used for the study:
- Batch no.: 170103
Appearance: White crystalline powder
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
Stability: H2O: 96 h; EtOH: unknown; acetone: unknown; CH3CN: unknown; DMSO: unknown
Solubility: H2O: >1 g/L; EtOH: unknown; acetone: unknown; CH3CN: unknown; DMSO: unknown
Expiry date: 14. Feb. 2024
Storage: Room Temperature (20 ± 5°C), keep away from humidity - Radiolabelling:
- no
- Analytical monitoring:
- yes
- Buffers:
- Water
Deionised water was used for the test item stock solution and for the preparation of the buffer solutions.
pH Buffer Solutions
The following solutions were used unsterile:
Compound Molecular Formula Concentration
Acetic acid CH3COOH 2 M
Sodium acetate CH3COONa 1 M
Sodium hydroxide NaOH 2 M
Buffer-Solutions, pH 4
CH3COOH, 2 M - 16 mL
CH3COONa - 8 mL
Demineralised water ad 200 mL
Final pH value = 4.03
Buffer-Solution, pH 7
KH2PO4 - 1.7430 g
Demineralised water - 50 mL
NaOH, 2 M - 2.98 mL
Demineralised water ad 200 mL
Final pH value (adjusted with NaOH) = 7.01
Buffer-Solution, pH 9
H3BO3 - 0.6193 g
KCl - 0.7465 g
Demineralised water - 100 mL
NaOH, 2 M - 2.15 mL
Demineralised water ad 200 mL
Final pH value (adjusted with NaOH) = 9.04 - Estimation method (if used):
- Not used.
- Details on test conditions:
- Glass Material
All glassware was sterilized before use.
Vials with PTFE septa were used. A large head space above the liquid was avoided.
Incubation Chamber
Memmert Tv30u
Instruments and Devices
The following instruments and devices were used for the performance of the study:
• Autoclave 3870 ELV-B, Tuttnauer
• pH-Meter pH 540 GLP, wtw
• Analytical scales XS205DU, Mettler Toledo
• Adjustable pipettes with one-way tips, Rainin ®, Mettler Toledo
• Repeater pipettes Autorep E, Mettler Toledo
• Syringe sterile filters, 0.2 µm PTFE
• Carbon analyser TOC multi N/C 2100S, Analytik Jena
• Refrigerator
• Temperature data loggers, ebro
Usage and calibration followed the corresponding SOP in the current edition.
Standard laboratory material (e.g. glassware) was also used in the performance of the study
Analytical Determination
An analytical method using HPLC-UV was validated and is fully described in the valida-tion report VB17042002G926.
Analytical Instrument
Identification: HPLC 6
Components:
- HPLC Ultimate3000:
- Solvent Rack
- Pump LPG-3400SD
- Autosampler WPS-3000TSL
- Column Compartment TCC-3200 with
- 6-fold motorized HPLC valve
- UV-Detector MWD-3000
Manufacturer: Thermo Fisher Scientific
Software: CHROMELEON 6.80 SR15b Build 4981
Usage and calibration followed SOP 11400529 in the current edition. - Duration:
- 120 h
- pH:
- 4
- Temp.:
- 49.2 °C
- Initial conc. measured:
- 488.53 mg/L
- Duration:
- 120 h
- pH:
- 7
- Temp.:
- 49.3 °C
- Initial conc. measured:
- 524.62 mg/L
- Duration:
- 120 h
- pH:
- 9
- Temp.:
- 49.3 °C
- Initial conc. measured:
- 486.56 mg/L
- Number of replicates:
- 2 for blank at each pH values and 6 for each sample and for each pH value.
- Positive controls:
- no
- Negative controls:
- no
- Statistical methods:
- Not relevant.
- Preliminary study:
- After five days (120 hours), the concentrations of the test item lay slightly above 100 % of the start concentration at pH values 4 and 9, indicating that the test item is hydrolytically stable. As the starting value of pH 7 was much higher than expected (> 120 % of the nominal concentration) but in the same concentration range as the other two pH values at the end of the incubation period, a sample preparation error at t = 0 was assumed and Tier 1 was repeated for pH 7.
In the repeated experiment at pH 7, the change in test item concentration was + 0.4 % compared to the starting concentration. The test item is considered hydrolytically stable also at pH 7. - Transformation products:
- not measured
- pH:
- 4
- Temp.:
- 49.2 °C
- Duration:
- 120 h
- Remarks on result:
- hydrolytically stable based on preliminary test
- pH:
- 7
- Temp.:
- 49.3 °C
- Duration:
- 120 h
- Remarks on result:
- hydrolytically stable based on preliminary test
- pH:
- 9
- Temp.:
- 49.2 °C
- Duration:
- 120 h
- Remarks on result:
- hydrolytically stable based on preliminary test
- pH:
- 4
- Temp.:
- 49.2 °C
- Remarks on result:
- hydrolytically stable based on preliminary test
- pH:
- 7
- Temp.:
- 49.3 °C
- Remarks on result:
- hydrolytically stable based on preliminary test
- pH:
- 9
- Temp.:
- 49.2 °C
- Remarks on result:
- hydrolytically stable based on preliminary test
- Validity criteria fulfilled:
- yes
- Conclusions:
- Sodium 3-sulfobenzoate is hydrolytically stable after five days (120 hours) at pH values of 4, 7 and 9 and 50°C.
- Executive summary:
The determination of pH-dependent Hydrolysis in Water of sodium 3-sulfobenzoate has been performed according to OECD Guideline 111 and EU Method C.7.
Tier 1
A test item solution in demineralised water was mixed with buffer solutions (pH values: 4; 7; and 9). The resulting solutions were sterile filtered and incubated at 50 °C for a period of five days. Samples were analysed at the beginning and after five days. The analysis of the samples (performed with HPLC) showed no decrease > 10 % in the test item concentration within five days.
pH
% of start concentration after 5 days
% change within 5 days
4
103.6
+ 3.6
7*
87.5
- 12.5
9
102.7
+ 2.7
7, repeated
99.6
- 0.4
* The starting concentration was implausible (too high), therefore the test at pH 7 was repeated
The test item was considered hydrolytically stable at the tested pH values.
Reference
Tier 1
Measured Concentrations, Decrease
The measured concentrations and the decrease in tier 1 are presented in the following table.
Table. Measured Concentrations t = 0 h.
Sample |
Peak Area |
Dilution |
Concentration |
Mean Concentration |
Blank pH 4 |
n.a. |
none |
< LOQ |
< LOQ |
n.a. |
none |
< LOQ |
||
pH 4 t=0 h |
7.1701 |
50 |
485.39 |
488.53 |
7.2615 |
50 |
491.66 |
||
Blank pH 7 |
n.a. |
none |
< LOQ |
< LOQ |
n.a. |
none |
< LOQ |
||
pH 7 t=0 h |
8.4491 |
50 |
573.19 |
607.291 |
8.5520 |
50 |
580.25 |
||
Blank pH 9 |
n.a. |
none |
< LOQ |
< LOQ |
n.a. |
none |
< LOQ |
||
pH 9 t=0 h |
7.2073 |
50 |
487.94 |
486.56 |
7.1671 |
50 |
485.18 |
1Including matrix correction factor 1.0530
Table. Measured Concentrations t = 0 h, repeated experiment.
Sample |
Peak Area |
Dilution |
Concentration |
Mean Concentration |
Blank pH 7 |
n.a. |
none |
< LOQ |
< LOQ |
n.a. |
none |
< LOQ |
||
pH 7 t=0 h |
5.6604 |
50 |
496.95 |
524.621 |
5.6890 |
50 |
499.48 |
1Including matrix correction factor 1.0530
Table. Measured Concentrations t = 120 h. |
||||
Sample Name |
Peak Area |
Concentration |
Dilution |
Mean |
Blank pH 41 |
n.a. |
< LOQ |
none |
< LOQ |
n.a. |
< LOQ |
none |
||
pH 4 |
7.4350 |
503.57 |
50 |
506.05 |
7.4658 |
505.69 |
50 |
||
7.5151 |
509.07 |
50 |
||
7.4219 |
502.67 |
50 |
||
7.5364 |
510.53 |
50 |
||
7.4525 |
504.77 |
50 |
||
Blank pH 7 |
n.a. |
< LOQ |
none |
< LOQ |
n.a. |
< LOQ |
none |
||
pH 7 |
7.3407 |
497.10 |
50 |
531.321 |
7.4791 |
506.60 |
50 |
||
7.4853 |
505.17 |
50 |
||
7.3265 |
496.13 |
50 |
||
7.5673 |
512.66 |
50 |
||
7.5260 |
509.82 |
50 |
||
Blank pH 9 |
n.a. |
< LOQ |
none |
< LOQ |
n.a. |
< LOQ |
none |
||
pH 9 |
7.5122 |
508.87 |
50 |
499.90 |
7.3722 |
499.26 |
50 |
||
7.3495 |
497.70 |
50 |
||
7.4075 |
501.69 |
50 |
||
7.3372 |
496.86 |
50 |
||
7.3102 |
495.01 |
50 |
1Including matrix correction factor 1.0530
Table. Measured Concentrations t = 120 h (repeated experiment). |
||||
Sample Name |
Peak Area |
Concentration |
Dilution |
Mean |
Blank pH 7 |
n.a. |
< LOQ |
None |
< LOQ |
n.a. |
< LOQ |
None |
||
pH 7 |
5.7610 |
500.99 |
50 |
526.681 |
5.7675 |
501.56 |
50 |
||
5.7462 |
499.70 |
50 |
||
5.8156 |
505.77 |
50 |
||
5.7047 |
496.06 |
50 |
||
5.7149 |
496.96 |
50 |
1Including matrix correction factor 1.0530
Assessment
The measured change in concentration at each pH value is summarised in Table below.
Table. Measured Concentrations Tier 1.
Mean Concentrations [mg/L] |
||||
pH 4 |
pH 7* |
pH 9 |
pH 7, repeated |
|
Average temperature [°C] |
49.2 |
49.2 |
49.2 |
49.3 |
t = 0 h |
488.53 |
607.29 |
486.56 |
524.62 |
t = 120 h |
506.05 |
531.32 |
499.90 |
526.68 |
Recovery after 120 h [%] |
103.6 |
87.5 |
102.7 |
99.6 |
Change over 120h[%] |
+ 3.6 |
- 12.5 |
+ 2.7 |
+ 0.4 |
* The starting concentration was implausible (too high), therefore the test at pH 7 was repeated
Description of key information
The determination of pH-dependent Hydrolysis in Water of sodium 3-sulfobenzoate has been performed according to OECD Guideline 111 and EU Method C.7.
Tier 1
A test item solution in demineralised water was mixed with buffer solutions (pH values: 4; 7; and 9). The resulting solutions were sterile filtered and incubated at 50 °C for a period of five days. Samples were analysed at the beginning and after five days. The analysis of the samples (performed with HPLC) showed no decrease > 10 % in the test item concentration within five days.
pH |
% of start concentration after 5 days |
% change within 5 days |
4 |
103.6 |
+ 3.6 |
7* |
87.5 |
- 12.5 |
9 |
102.7 |
+ 2.7 |
7, repeated |
99.6 |
- 0.4 |
* The starting concentration was implausible (too high), therefore the test at pH 7 was repeated
The test item was considered hydrolytically stable at the tested pH values.
Key value for chemical safety assessment
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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