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EC number: 258-964-5 | CAS number: 54079-53-7
- 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
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2008-03-07 - 2008-03-28
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Experimental test result performed using standard OECD test guidelines
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Principles of method if other than guideline:
- Determination of the Water Solubility of test chemical was done according to OECD Guidelines, by Column elution method.
- GLP compliance:
- yes
- Type of method:
- column elution method
- Specific details on test material used for the study:
- - Name of test material : Disperse Yellow 201
- IUPAC name : (4-{[2-(4-cyclohexylphenoxy)ethyl](ethyl)amino}-2-methylbenzylidene)malononitrile / Solvent Yellow 179
- Molecular formula): C27H31N3O
- Molecular weight :413.562 g/mol
- Smiles notation : N#C\C(C#N)=C/c1c(cc(N(CCOc2ccc(cc2)C2CCCCC2)CC)cc1)C
- InChl: 1S/C27H31N3O/c1-3-30(26-12-9-25(21(2)17-26)18-22(19-28)20-29)15-16-31-27-13-10-24(11-14-27)23-7-5-4-6-8-23/h9-14,17-18,23H,3-8,15-16H2,1-2H3
- Substance type:Organic
- Physical state:Solid
- Batch no.: CHZTRD683R
- Content of test substance: 99.2 % (analyzed under CURRENTA-file-no.: 2008/0021/01) - Key result
- Water solubility:
- < 0.001 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 6.2
- Remarks on result:
- other: by Column elution method
- Conclusions:
- The water solubility of test chemical was determined to be less than 0.0007 mg/l at 20 °C.
- Executive summary:
Determination of the Water Solubility of test chemical was done according to OECD Guidelines, with the help of Column elution method. The water solubility was determined to be less than 0.0007 mg/l at 20 °C.
Hence based on the experimental value test chemical was considered to be insoluble in water.
Reference
Solution of the test substance:
Initial weight: 102.8 mg / 100 ml
Solvent: Acetonitrile
Content of the test substance: 99.2 %
Loading of the support:
Support material: Chromosorb W/AW (0.15 -0.18 mm), Merck
Initial weight of the support material: 600 mg
Volume of the solution of the test substance: 10 ml
Test temperature: 20 °C ± 0.5 °C
The concentrations of test chemical in the fractions were determined by HPLC. Eighteen fractions were collected from column 1 and ten fractions from column 2. The results of the two tests were not in agreement. Therefore a third test with a flow rate of 6 ml/h (column 3) was performed and fifteen fractions were collected. Ten data points are listed in the following table including the eight fractions from column 2 and seven fractions from column 3 with constant concentrations, which were used for the determination of the water solubility (marked with *). For each fraction 10 ml were collected.
Column 1 (12 ml/h) | Column 2 (24 ml/h) | Column 3 (6 ml/h) | ||||||
fraction no. | pH value | Concentration [β ] = mg/l |
fraction no. |
pH value |
concentration [β ] = mg/l |
fraction no. |
pH value |
concentration [β ] = mg/l |
8 |
6.2 |
<0.002 |
1 |
6.4 |
0.002 |
6 |
6.4 |
<0.002 |
9 |
6.3 |
<0.002 |
2 |
6.3 |
<0.002 |
7 |
6.4 |
<0.002 |
10 |
6.4 |
<0.002 |
3* |
6.1 |
nd<0.0007 |
8 |
6.3 |
<0.002 |
11 |
6.3 |
<0.002 |
4* |
6.0 |
nd<0.0007 |
9* |
6.3 |
nd<0.0007 |
12 |
6.4 |
<0.002 |
5* |
6.3 |
nd<0.0007 |
10* |
6.3 |
nd<0.0007 |
13 |
6.2 |
<0.002 |
6* |
6.2 |
nd<0.0007 |
11* |
6.4 |
nd<0.0007 |
14 |
6.3 |
<0.002 |
7* |
6.3 |
nd<0.0007 |
12* |
6.4 |
nd<0.0007 |
15 |
6.2 |
<0.002 |
8* |
6.4 |
nd<0.0007 |
13* |
6.4 |
nd<0.0007 |
16 |
6.3 |
<0.002 |
9* |
6.4 |
nd<0.0007 |
14* |
6.3 |
nd<0.0007 |
17 |
6.3 |
<0.002 |
10* |
6.4 |
nd<0.0007 |
15* |
6.4 |
nd<0.0007 |
Column 2 Mean value nd<0.0007mg/l
Column 3 Mean value nd<0.0007mg/l
Mean value of column 2 and 3: nd<0.0007 mg/l corresponds to < 7 E-07 g/l
Description of key information
The water solubility of test chemical was determined to be less than 0.0007 mg/l at 20 °C.
Key value for chemical safety assessment
- Water solubility:
- 0.001 mg/L
- at the temperature of:
- 20 °C
Additional information
Determination of the Water Solubility of test chemical was done according to OECD Guidelines, with the help of Column elution method. The water solubility was determined to be less than 0.0007 mg/l at 20 °C.
Hence based on the experimental value test chemical was considered to be insoluble in water.
Other supporting data also determined water solubility of test chemical were different values as 0.004–0.006 mg/L at 21 -25 °C, less than 0.0007 mg/L at 20 °C and 0.0017 mg/L at 20 °C respectively.
Based on the above all experimental and estimated values test chemical was considered to be insoluble in water.
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