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EC number: 828-215-2 | CAS number: 172796-84-8
- 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:
- The study was conducted between 12 September 2018 and 17 November 2018.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- phosphonic acid, [2-(4-aminophenyl)-1-hydroxyethylidene]bis-, monosodium salt
- EC Number:
- 828-215-2
- Cas Number:
- 172796-84-8
- Molecular formula:
- C8H12NO7P2Na
- IUPAC Name:
- phosphonic acid, [2-(4-aminophenyl)-1-hydroxyethylidene]bis-, monosodium salt
- Reference substance name:
- 4-aminophenylacetic acid
- EC Number:
- 214-828-7
- EC Name:
- 4-aminophenylacetic acid
- Cas Number:
- 1197-55-3
- Molecular formula:
- C8H9NO2
- IUPAC Name:
- 4-aminophenylacetic acid
- Reference substance name:
- EBP dimer
- Molecular formula:
- C16H22N2O12P4
- IUPAC Name:
- EBP dimer
- Test material form:
- solid: particulate/powder
Constituent 1
impurity 1
impurity 2
- Specific details on test material used for the study:
- Identification: Phosphonic acid, [2-(4-aminophenyl)-1-hydroxyethylidene]bis-, monosodium salt (“EBP”)
Appearance/Physical state: Beige colored powder
Batch: CHPC071917EBP
Purity: >90%
Expiry date: 01 July 2019
Storage conditions: Room temperature in the dark
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- < -3.3
- Temp.:
- 24.3 °C
- pH:
- 5.3
- Details on results:
- Preliminary Estimate
The estimated partition coefficient was less than 3.29 x 10^-4 at 22.8 ± 0.5 °C, log Pow < -3.48. The pH of the aqueous phase was 5.0.
Any other information on results incl. tables
Definitive Test
The mean peak areas obtained for the standard, stock and sample solutions are shown in the following two tables:
Organic Phase
Solution |
Mean Peak Area |
Standard 1.03 mg/L |
8.149 x 103 |
Standard 1.55 mg/L |
4.910 x 104 |
Standard 1.52 mg/L |
4.642 x 104 |
Standard 2.06 mg/L |
7.467 x 104 |
Standard 3.09 mg/L |
1.322 x 105 |
Organic phase matrix blank |
None detected |
Organic Sample 1 |
None detected |
Organic Sample 2 |
None detected |
Organic Sample 3 |
None detected |
Organic Sample 4 |
None detected |
Organic Sample 5 |
None detected |
Organic Sample 6 |
None detected |
Aqueous Phase
Solution |
Mean Peak Area |
Standard 10.3 mg/L |
5.678 x 105 |
Standard 20.6 mg/L |
1.323 x 106 |
Standard 30.9 mg/L |
1.971 x 106 |
Standard 30.3 mg/L |
1.974 x 106 |
Standard 43.4 mg/L |
3.056 x 106 |
Standard 61.8 mg/L |
4.095 x 106 |
Aqueous phase matrix blank |
1.249 x 105 |
Aqueous Sample 1 |
1.920 x 106 |
Aqueous Sample 2 |
1.940 x 106 |
Aqueous Sample 3 |
1.994 x 106 |
Aqueous Sample 4 |
1.931 x 106 |
Aqueous Sample 5 |
1.958 x 106 |
Aqueous Sample 6 |
1.974 x 106 |
Stock solution A |
1.927 x 106 |
Stock solution B |
1.976 x 106 |
The analyzed concentration (mg/L) and test item weight (mg) of the respective phases are shown in the following table:
Flask |
Total Weight (mg)* |
Organic Phase |
Aqueous Phase |
% Recovery |
|||
Analyzed Concentration (mg/L) |
Weight (mg)† |
Analyzed Concentration (mg/L) |
Weight (mg)† |
pH |
|||
1 |
145 |
<1.5 |
<3.6 x 10-2 |
2.98 x 103 |
143 |
5.2 |
~98.5 |
2 |
157 |
<1.5 |
<3.9 x 10-2 |
3.01 x 103 |
157 |
5.3 |
~99.5 |
3 |
121 |
<1.5 |
<6.0 x 10-2 |
3.09 x 103 |
124 |
5.3 |
~102 |
4 |
84.7 |
<1.5 |
<4.2 x 10-2 |
3.00 x 103 |
83.9 |
5.3 |
~99.1 |
5 |
72.6 |
<1.5 |
<7.2 x 10-2 |
3.03 x 103 |
72.8 |
5.3 |
~100 |
6 |
90.8 |
<1.5 |
<9.0 x 10-2 |
3.06 x 103 |
91.7 |
5.3 |
~101 |
pH of n-octanol saturated water: 7.0
pH of stock solution: 5.0
Temperature: 24.3 ± 0.5°C
The partition coefficient determined for each flask is shown in the following table:
Flask |
Organic/Aqueous Volume Ratio |
Partition Coefficient |
Log10Pow |
Overall Partition Coefficient |
1 |
1:2 |
<5.04 x 10-4 |
<-3.30 |
<5.04 x 10-4 |
2 |
<4.99 x 10-4 |
<-3.30 |
||
3 |
1:1 |
<4.86 x 10-4 |
<-3.31 |
<5.01 x 10-4 |
4 |
<5.01 x 10-4 |
<-3.30 |
||
5 |
2:1 |
<4.94 x 10-4 |
<-3.31 |
<4.94 x 10-4 |
6 |
<4.91 x 10-4 |
<-3.31 |
Overall Pow:<5.04 x 10-4 Log10 Pow:<-3.30
* From analysis of the stock solution
† From analysis of the respective phase
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the test item at pH 5.3 ± 0.1 has been determined to be less than 5.04 x 10^-4 at 24.3 ± 0.5 °C, log10 Pow <-3.30.
- Executive summary:
Partition Coefficient (n-Octanol/Water). Less than 5.0 x 10-4at 24.3 ± 0.5 °C, log10Pow <-3.3, at pH 5.3 ± 0.1, using the shake-flask method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
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