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EC number: 289-108-9 | CAS number: 86014-62-2
- 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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 11 May 2017 to 06 December 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Study conducted in accordance with international guidelines and in accordance with GLP. All guideline validity criteria were met.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- direct peptide reactivity assay (DPRA)
Test material
- Reference substance name:
- Ammonium mono(2- ethylhexyl)phosphate
- Molecular formula:
- C8H22NO4P
- IUPAC Name:
- Ammonium mono(2- ethylhexyl)phosphate
- Reference substance name:
- Ammonium bis(2-ethylhexyl) phosphate
- EC Number:
- 225-615-3
- EC Name:
- Ammonium bis(2-ethylhexyl) phosphate
- Cas Number:
- 4971-47-5
- Molecular formula:
- C16H38NO4P
- IUPAC Name:
- Ammonium bis(2- ethylhexyl)phosphate
- Reference substance name:
- 2-ethylhexyl diphosphate ammonium salts / esters of 2-ethylhexan-1-ol with diphosphoric acid and their corresponding ammonium salts
- Molecular formula:
- C8H23NO7P2
- IUPAC Name:
- 2-ethylhexyl diphosphate ammonium salts / esters of 2-ethylhexan-1-ol with diphosphoric acid and their corresponding ammonium salts
- Test material form:
- liquid
- Details on test material:
- Storage Conditions: Room temperature.
Constituent 1
Constituent 2
Constituent 3
In chemico test system
- Details on the study design:
- Skin sensitisation (In chemico test system) - Details on study design:
The study was conducted to quantify the reactivity of the test article (Reaction mass of Ammonium mono(2-ethylhexyl)phosphate, Ammonium bis(2-ethylhexyl)phosphate and 2-ethylhexyl diphosphate ammonium salts) towards model synthetic peptides containing either lysine or cysteine.
The test article and positive control was dissolved in purified water and acetonitrile, respectively at a concentration of 100 mM.
The test solutions were incubated at 1:10 and 1:50 ratios with the cysteine and lysine peptides, respectively, for 24±2 hours in glass autosampler vials, protected from light and set at 25 °C.
The remaining concentration of cysteine- or lysine-containing peptides following the 24 hour incubation period was measured by high performance liquid chromatography (HPLC) with gradient elution and UV detection at 220 nm.
The mean percent cysteine and percent lysine depletion value was calculated.
Negative depletion was considered as “0” when calculating the mean. By using the cysteine 1:10/lysine 1:50 prediction model below, the threshold of 6.38 % average peptide depletion was used to support the discrimination between skin sensitisers and non-sensitisers in the framework of an IATA.
0% ≤ mean % depletion ≤6.38% = No or minimal reactivity/ Negative for sensitisation
6.38% < mean % depletion ≤22.62% Low reactivity/ Positive for sensitisation
22.62% < mean % depletion ≤42.47% = Moderate reactivity/ Positive for sensitisation
42.47% < mean % depletion ≤100% = High reactivity/ Positive for sensitisation
Results and discussion
- Positive control results:
- Mean PPD = 55.84 %
High reactivity (Positive result)
In vitro / in chemico
Resultsopen allclose all
- Key result
- Run / experiment:
- other: other: Lysine mean test item PPD
- Parameter:
- other: Peptide Percent Depletion
- Value:
- 0.55
- Vehicle controls validity:
- not examined
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Key result
- Run / experiment:
- other: other: Cysteine mean test item PPD
- Parameter:
- other: Peptide Percent Depletion
- Value:
- 11.27
- Vehicle controls validity:
- not examined
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Other effects / acceptance of results:
- OTHER EFFECTS:
- Visible damage on test system: n/a
DEMONSTRATION OF TECHNICAL PROFICIENCY: Yes
The following criteria should be met for a run to be considered valid: a) the standard calibration curve should have an r2 >0.99 (actual >0.9935), b) the mean percent peptide depletion value of the three replicates for the positive control cinnamic aldehyde should be between 60.8 % and 100 % for the cysteine peptide (actual = 73.11 %) and between 40.2 % and 69.0 % for the lysine peptide (actual = 55.84 %) and the maximum standard deviation (SD) for the positive control replicates should be <14.9 % for the percent cysteine depletion (actual = 0.4 %) and <11.6 % for the percent lysine depletion (actual = 2.5 %) and c) the mean peptide concentration of reference controls A should be 0.50 ± 0.05 mM (actual = 0.53 and 0.46 mM for cysteine and lyseien standards, respectively)and the coefficient of variation (CV) of peptide peak areas for the nine reference controls B and C in acetonitrile should be <15.0 % (actual = 1.92 %).
Any other information on results incl. tables
Table 1 Lysine Depletion Summary
Substance |
Replicate Peptide Peak Areas |
Reference Control C |
PPD |
Mean PPD |
SD |
Test Article |
38.717 |
38.38 |
-0.88 |
0.55 |
0.9 |
38.588 |
-0.54 |
||||
37.749 |
1.64 |
||||
Positive Control |
16.192 |
35.78 |
54.75 |
55.84 |
2.5 |
16.414 |
54.13 |
||||
14.792 |
58.66 |
Table 2 Cysteine Depletion Summary
Substance |
Replicate Peptide Peak Areas |
Reference Control C |
PPD |
Mean PPD |
SD |
Test Article |
23.579 |
26.115 |
9.71 |
11.27 |
1.5 |
23.126 |
11.45 |
||||
22.809 |
12.66 |
||||
Positive Control |
7.243 |
26.748 |
72.92 |
73.11 |
0.4 |
7.059 |
73.61 |
||||
7.277 |
72.79 |
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Based on the condition of the study, the test article was considered to be negative in the Direct Peptide Reactivity Assay according to EU CLP and UN GHS.
- Executive summary:
OECD 442C (2017) - The in chemico study was conducted to quantify the reactivity of the test item towards model synthetic peptides containing either lysine or cysteine. The test item and positive control were dissolved in purified water and acetonitrile, respectively at a concentration of 100 mM. The test solutions were incubated at 1:10 and 1:50 ratios with the cysteine and lysine peptides, respectively, for 24 ± 2 hours in glass autosampler vials, protected from light and set at 25 °C. The remaining concentration of cysteine- or lysine-containing peptides following the 24 hour incubation period was measured by high performance liquid chromatography (HPLC) with gradient elution and UV detection at 220 nm.
The mean percent cysteine and percent lysine depletion values were calculated and determined to be 11.27 and 0.55 %, respectively. Based on the condition of the study, the test article was considered to be negative in the Direct Peptide Reactivity Assay, according to EU CLP and UN GHS.
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