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EC number: 807-621-3 | CAS number: 1428450-95-6
- 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:
- 11 - 28 Feb 2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Referenceopen allclose all
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Landesamt Umwelt, Wasserwirtschaft und Gewerbeaufsicht, Mainz, Germany
- Type of method:
- flask method
Test material
- Reference substance name:
- N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
- EC Number:
- 807-621-3
- Cas Number:
- 1428450-95-6
- Molecular formula:
- C13H14N2O3S
- IUPAC Name:
- N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
- Test material form:
- solid: particulate/powder
Constituent 1
Results and discussion
Water solubilityopen allclose all
- Water solubility:
- 11.82 mg/L
- Temp.:
- 10.5 °C
- pH:
- 5.88
- Key result
- Water solubility:
- 19.9 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 5.89
- Water solubility:
- 28.79 mg/L
- Temp.:
- 29.5 °C
- pH:
- 5.99
Any other information on results incl. tables
The data which was acquired for temperature dependency of water solubility is presented in the following table:
Flask |
Temperature / °C |
Concentration test item / mg/L |
Difference to other sample /% |
KS |
4.9 |
11.38 |
|
RT |
19.2 |
16.69 |
49.13 |
Because the difference between the measured concentrations of the two flasks was > 3%/°C (49.13 %/14.3 °C), the main study was performed at 10 °C, 20 °C and 30 °C.
Equilibration at 10 °C
Day |
Flask |
Temperature /°C |
pH |
Measured values / mg/L |
Difference to previous sample /% |
1 |
7A |
10.5 |
6 |
11.06 |
-- |
2 |
7B |
10.5 |
6 |
11.12 |
+0.6 |
3 |
7C |
10.5 |
6 |
11.29 |
+1.5 |
4 |
7C |
10.5 |
5.76 |
11.09 |
-1.7 |
After the analysis of the sample of day 4, the plateau was considered as reached and flasks 8 – 12 were sampled.
Equilibration at 20 °C
Day |
Flask |
Temperature /°C |
pH |
Measured values / mg/L |
Difference to previous sample /% |
1 |
1A |
20 |
5.81 |
19.18 |
-- |
2 |
1B |
20 |
5.71 |
18.99 |
-1.0 |
3 |
1C |
20 |
5.70 |
19.16 |
+0.9 |
After the analysis of the sample of day 3, the plateau was considered as reached and flasks 2 – 6 were sampled.
Equilibration at 30 °C
Day |
Flask |
Temperature /°C |
pH |
Measured values / mg/L |
Difference to previous sample /% |
1 |
13A |
29.5 |
5.64 |
29.15 |
-- |
2 |
13B |
29.5 |
5.76 |
29.29 |
+0.5 |
3 |
13C |
29.5 |
5.80 |
29.01 |
-1.0 |
After the analysis of the sample of day 3, the plateau was considered as reached and flask 14 -18 were sampled.
Flask No. |
Nominal concentration / mg/L |
Temperature / °C |
pH |
Concentration / mg/L |
Mean concentration / mg/L |
|
1A |
200 |
20.0 |
|
19.15 |
19.18 |
|
19.22 |
||||||
1B |
200 |
20.0 |
|
19.01 |
18.99 |
|
18.96 |
||||||
1C |
200 |
20.0 |
5.81 |
19.19 |
19.16 |
|
19.13 |
||||||
2 |
400 |
20.0 |
5.71 |
19.71 |
19.71 |
|
19.72 |
||||||
3 |
600 |
20.0 |
5.70 |
19.95 |
19.94 |
|
19.93 |
||||||
4 |
800 |
20.0 |
6.00 |
19.74 |
19.73 |
|
19.72 |
||||||
5 |
1000 |
20.0 |
5.83 |
20.18 |
20.25 |
|
20.31 |
||||||
6 |
1200 |
20.0 |
6.02 |
20.66 |
20.62 |
|
20.59 |
||||||
7C |
200 |
10.5 |
5.76 |
11.10 |
11.09 |
|
11.09 |
||||||
8 |
400 |
10.5 |
5.94 |
12.10 |
12.09 |
|
12.07 |
||||||
9 |
600 |
10.5 |
6.00 |
11.64 |
11.64 |
|
11.63 |
||||||
10 |
800 |
10.5 |
5.77 |
12.00 |
12.02 |
|
12.05 |
||||||
11 |
1000 |
10.5 |
5.88 |
12.03 |
12.02 |
|
12.01 |
||||||
12 |
1200 |
10.5 |
5.91 |
12.05 |
12.03 |
|
12.02 |
||||||
13A |
200 |
29.5 |
5.64 |
29.14 |
29.15 |
|
29.16 |
||||||
13B |
200 |
29.5 |
5.76 |
29.30 |
29.29 |
|
29.28 |
||||||
13C |
200 |
29.5 |
5.8 |
29.02 |
29.01 |
|
29.01 |
||||||
14 |
400 |
29.5 |
6.00 |
28.94 |
28.95 |
|
28.96 |
||||||
15 |
600 |
29.5 |
5.97 |
28.98 |
28.97 |
|
28.95 |
||||||
16 |
800 |
29.5 |
6.14 |
28.45 |
28.44 |
|
28.44 |
||||||
17 |
1000 |
29.5 |
6.31 |
28.27 |
28.28 |
|
28.29 |
||||||
18 |
1200 |
29.5 |
6.20 |
28.18 |
28.21 |
|
28.24 |
||||||
20 °C: A mean concentration of 19.90 mg/L with a standard deviation of 0.46 mg/L was calculated, giving a relative standard deviation of 2.30 %.
10 °C: A mean concentration of 11.82 mg/L with a standard deviation of 0.36 mg/L was calculated, giving a relative standard deviation of 3.01 %.
30 °C: A mean concentration of 28.79 mg/L with a standard deviation of 0.39 mg/L was calculated, giving a relative standard deviation of 1.35 %.
Temperature /°C |
Mean pH |
Mean concentration /mg/L |
Standard deviation /mg/L |
Relative standard deviation /% |
10.5 |
5.88 |
11.85 |
0.36 |
3.01 |
20.0 |
5.89 |
19.90 |
0.46 |
2.30 |
29.5 |
5.99 |
28.79 |
0.39 |
1.35 |
The water solubility of the test item was determined from the measured concentrations of N-[4-(2,4-dihydroxyphenyl)thiazol-2-yl]isobutyramide in the filtrated test solutions. Due to the observed temperature dependence of solubility (3.44 %/°C), the water solubility was tested at temperatures 10 °C, 20 °C and 30 °C as required by the EU A.6 guideline.
Equilibration time can be considered as approx. 3 days at 20 °C and 30 °C and 4 days at 10 °C, as the values which were measured on the following consecutive days did not give significantly different values.
All replicates showed good correspondence. The standard deviations of the samples which were used for the calculation of water solubility (at plateau) were in a range of 0.36 – 0.46 mg/L, corresponding to relative standard deviations of 1.35 – 3.01 %.
The test item did not show dependence of solubility on nominal concentrations. Also, pH of the solutions was not dependent on nominal concentration of the test item.
No observations arousing doubts concerning the accuracy of the results and the validity of the study were made.
Applicant's summary and conclusion
- Conclusions:
- N-[4-(2,4-Dihydroxyphenyl)-2-thiazolyl]-2-methylpropanamide has a water solubility of 19.9 mg/l at 20°C
- Executive summary:
N-[4-(2,4-Dihydroxyphenyl)-2-thiazolyl]-2-methylpropanamide has a water solubility of 19.9 mg/l at 20°C
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