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EC number: 200-805-9 | CAS number: 74-11-3
- 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
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2021-05-10 - 2021-05-31
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 021
- Report date:
- 2021
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995
- Deviations:
- not specified
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- not specified
- GLP compliance:
- no
- Type of method:
- flask method
Test material
- Reference substance name:
- 4-chlorobenzoic acid
- EC Number:
- 200-805-9
- EC Name:
- 4-chlorobenzoic acid
- Cas Number:
- 74-11-3
- Molecular formula:
- C7H5ClO2
- IUPAC Name:
- 4-chlorobenzoic acid
- Test material form:
- solid: particulate/powder
- Details on test material:
- white to yellowish crystalline powder
Constituent 1
Results and discussion
Water solubility
- Key result
- Water solubility:
- 74.9 mg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Loading of aqueous phase:
- 51 g/L
- Incubation duration:
- 3 d
- Temp.:
- 20 °C
- pH:
- >= 3.7 - <= 3.8
Any other information on results incl. tables
Preliminary Test
The preliminary test at room temperature showed, that the water solubility of the test item was between 10.4 mg/L and 65.7 mg/L.
Table 5: Preliminary test for the water solubility
Amount of test item [mg] |
Added volume of water [mL] |
Ultrasonic bath [h:min] |
Remark |
100.71 |
0.1 |
-- |
not dissolved |
0.6 |
-- |
not dissolved |
|
1,6 |
0:03 |
not dissolved |
|
3.6 |
0:03 |
not dissolved |
|
13.6 |
0:05 |
not dissolved |
|
100 |
0:08 |
not dissolved |
|
6.57 |
100 |
18:251) |
not dissolved |
2.60 |
250 |
18:251) |
dissolved |
3.03 |
500 |
18:251) |
dissolved |
1)Stirring time at room temperature
The solubility of the test item in water at room temperature was estimated to be> 10.4 mg/L and < 65.7 g/L. Therefore, the flask method was performed.
Main Test (flask method)
For the main test three flasks were prepared with an amount of test item and water, and one flask only with water (blank). After stirring and centrifugation the aqueous phases were measured by means of HPLC. The solution of each flask has been measured twice.
Table 6: Results of the flask method
Flask |
1b |
2a |
3a |
4a |
measured value [mg/L] |
14.95 / 14.85 |
15.09 / 15.12 |
14.87 / 14.97 |
0 / 0 |
aliquot of the flask [mL] |
0.2 |
0.2 |
0.2 |
0.2 |
total volume after dilution [mL] |
1 |
1 |
1 |
1 |
water solubility [mg/L] |
74.8 / 74.3 |
75.4 / 75.6 |
74.3 / 74.8 |
0 / 0 |
average water solubility [mg/L] |
74.5 |
75.5 |
74.6 |
0 |
mean value of the water solubility [mg/L] |
74.9 |
0 |
||
standard deviation [mg/L] |
0.6 |
-- |
||
relative standard deviation [%] |
0.7 |
-- |
To verify the accuracy of the analytical method a fresh prepared standard solution (prepared with the test item) was measured in between the samples of the flask method.
Table 7: Measurement of a standard solution
Standard solution (nominal value [mg/L]) |
Measured value [mg/L] |
Repeatability [%] |
Ü1 (6.95) |
6.88 |
99.0 |
7.06 |
101.5 |
|
Ü2 (7.93) |
7.98 |
100.7 |
7.98 |
100.7 |
The recovery rate of the measured standard solutions was in the range from 99.0 % to 101.5 %, which shows a good accuracy of the analytical method
Applicant's summary and conclusion
- Conclusions:
- The water-solubility of 4-chlorobenzoic acid using the flask-method was determined to be 74.9 mg/L at 20°C.
- Executive summary:
According to OECD Test Guideline 105 (1995) and Regulation (EC) No 440/2008 Method A.6. the water solubility at 20 °C of the test item 4 -Chlorobenzoic acid was determined to be:
cS = 74.9 mg/L, RSD = 0.7 %
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