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EC number: 250-774-0 | CAS number: 31714-55-3
- 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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 12 December 2017 - 16 December 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 27 July 1995
- Deviations:
- yes
- Remarks:
- methodological limitations, e.g. no motivation for selected stock conc. (no preliminary test), no justification buffer use, overall mass balance has not been addressed, inconsistent analytical procedures, insufficient reporting of measured conc.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Hydrogen bis[1-[(5-chloro-2-hydroxyphenyl)azo]-2-naphtholato(2-)]chromate(1-)
- EC Number:
- 250-774-0
- EC Name:
- Hydrogen bis[1-[(5-chloro-2-hydroxyphenyl)azo]-2-naphtholato(2-)]chromate(1-)
- Cas Number:
- 31714-55-3
- Molecular formula:
- C32H19Cl2CrN4O4
- IUPAC Name:
- [1-{[5-chloro-2-(hydroxy-kappaO)phenyl]diazenyl}-2-naphtholato(2-)-kappaO]{1-[(5-chloro-2-hydroxyphenyl)diazenyl]-2-naphtholato-kappaO}chromium
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Appearance: Black powder
- Storage conditions: At room temperature
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 4
- pH:
- ca. 7
- Remarks on result:
- other: just an indication due to analytical inconsistencies (a.o. different end-solutions of test samples)
- Details on results:
- - The analysed concentration in the test item n-octanol stock solution was 5124.604 mg/L
- There was no test item related peak observed in the chromatograms of the water phases of all three ratios of (n-octanol/water) analysis. An accurate calculation of the partition coefficient could therefore not be performed due to the very low solubility of the test item in buffer water.
- Therefore, an estimation was made based on measured concentrations in the n-octanol phases and the LOD of the method used to measure the buffer solutions. The LOD (determined from the signal to noise ratio (S/N) in chromatogram of the lowest linearity standard solution during buffer solution analysis) was 0.11 mg/L; thus the solubility of the substance in buffer pH 7 was concluded to be < 0.11 mg/L.
The Pow of the substance was calculated to be > 10660 (mean, n=6). This corresponds with a Log Pow of > 4.0.
Any other information on results incl. tables
Concentration of T-95/T-99 in Phases
Ratio of Solvents (n-Octanol: Water) |
Repli-cation |
N° of Injection |
Peak Area in Phases Y |
Dilution Factor of Phases D |
Concentration (mg/L) of T-95/T-99in Phases X |
||||||
n-Octanol |
Water |
n-Octanol |
Water |
n-Octanol |
Mean |
Water |
Mean |
||||
1 : 1 |
R1 |
I |
404392 |
ND |
100 |
1.0 |
1410.745 |
1441.693 |
NA |
NA |
|
II |
420920 |
ND |
1472.640 |
NA |
|||||||
R2 |
I |
456992 |
ND |
1607.724 |
1582.739 |
NA |
NA |
||||
II |
443648 |
ND |
1557.753 |
NA |
|||||||
1 : 2 |
R1 |
I |
229995 |
ND |
100 |
1.0 |
757.655 |
758.020 |
NA |
NA |
|
II |
230190 |
ND |
758.385 |
NA |
|||||||
R2 |
I |
252010 |
ND |
840.098 |
838.533 |
NA |
NA |
||||
II |
251174 |
ND |
836.967 |
NA |
|||||||
2 : 1 |
R1 |
I |
357641 |
ND |
100 |
1.0 |
1235.670 |
1237.574 |
NA |
NA |
|
II |
358658 |
ND |
1239.478 |
NA |
|||||||
R2 |
I |
341512 |
ND |
1175.269 |
1176.780 |
NA |
NA |
||||
II |
342319 |
ND |
1178.291 |
NA |
|||||||
Intercept with Y-axis (a) |
27675.55* |
Slope of the line (b)* |
26703.37* |
||||||||
Typical Calculation |
|||||||||||
Concentration (mg/L) [X] Y - a = -------- x D b |
404392– 27675.55 = --------------------------- x 100 26703.37
= 1401.745mg/L |
Estimation of Pow and log Pow based on reported measured octanol concentrations and reported water solubility
ratio |
Mean meas. Octanol conc. [mg/L] |
Solubility in buffer pH 7 [mg/L] |
Pow |
log Pow |
mean log Pow |
||
1:1 |
1441,693 |
|
< 0,11 |
|
> 13106 |
> 4,12 |
> 4,14 |
1582,739 |
|
< 0,11 |
|
> 14388 |
> 4,16 |
||
|
|
|
|
|
|
|
|
1:2 |
758,02 |
|
< 0,11 |
|
> 6891 |
> 3,84 |
> 3,86 |
838,533 |
|
< 0,11 |
|
> 7623 |
> 3,88 |
||
|
|
|
|
|
|
|
|
2:1 |
1237,574 |
|
< 0,11 |
|
> 11251 |
> 4,05 |
> 4,04 |
1176,78 |
|
< 0,11 |
|
> 10698 |
> 4,03 |
||
|
|||||||
mean Pow |
> 10660 |
|
|
||||
log Pow (from mean Pow) |
> 4,028 |
|
|
Applicant's summary and conclusion
- Conclusions:
- The log Pow of T-95/T-99 was estimated to be >4.0, based on measured concentrations in the n-octanol phases and the derived value for solubility in buffer pH 7 (i.e. < 0.11 mg/L, based on LOD).
- Executive summary:
A study was performed according to OECD guideline 107 and GLP principles, to determine the partition coefficient (n-octanol/water) of T-95/T-99.
The test item had a low solubility in buffer pH 7 and therefore the log Pow was estimated based on measured concentrations in the n-octanol phases and the derived value for solubility in buffer pH 7 (i.e. < 0.11 mg/L, based on LOD). The resulting log Pow is >4.0.
This value is only an indication for the octanol-water partition coefficient as the analytical procedure to determine test substance concentrations in test samples showed major inconsistencies.
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