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EC number: 860-352-3 | CAS number: 1610350-91-8
- 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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vitro
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 2020-08-17
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442D (In Vitro Skin Sensitisation: ARE-Nrf2 Luciferase Test Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- activation of keratinocytes
- Justification for non-LLNA method:
- This ARE-Nrf2 luciferase test method can be used as part of a testing battery (including e.g. h-CLAT (human Cell Line Activation Test), DPRA (direct peptide reactivity assay)) based on the OECD adverse outcome pathway for the assessment of the skin sensitisation potential of chemicals.
Test material
- Reference substance name:
- (2S)-2-amino-3-(4-{[bis(sodiooxy)phosphoryl]oxy}phenyl)propanoic acid
- EC Number:
- 860-352-3
- Cas Number:
- 1610350-91-8
- Molecular formula:
- C9H10NO6PNa2
- IUPAC Name:
- (2S)-2-amino-3-(4-{[bis(sodiooxy)phosphoryl]oxy}phenyl)propanoic acid
- Test material form:
- solid: particulate/powder
Constituent 1
In vitro test system
- Details on the study design:
- PREPARATION OF TEST ITEMS
- Test item concentrations: 0.98, 1.95, 3.9, 7.8, 15.6, 31.25, 62.5, 125, 250, 500, 1000 and 2000 µM
PREPARATION OF POSITIVE/NEGATIVE CONTROLS
- Positive control: 4 µM - 64 µM cinnamic aldehyde
- Solvent (test item + postive control): 1% (v/v) DMSO
- Negative Control: 1% (v/v) DMSO
EXPERIMENTAL PROCEDURE
- Incubation: Cells were grown for 24h ± 1h in assay medium at 37°C ± 1 °C and 5% CO2. Thereafter, the assay medium was discarded and replaced by 200 µL test item in exposure medium and incubated for 48h ± 1h.
- Measurement of luciferase activity: Cells were washed once with DPBS and 20 µL of passive lysis buffer was added into each well and the plate was incubated for 20 min at room temperature in the absence of light. Plates were placed in the plate reader for luminescence measurement. 50 µL/well of the luciferase substrate was injected. The plate reader waited for 1 sec before assessing the luciferase activity for 2 sec. This procedure was repeated for each individual well.
- Cell viability: 2.7 mL of a MTT solution (5 mg/mL in DPBS) was added to 20 mL exposure medium. The medium was replaced with 200 pL of this fresh medium containing MTT. The plate was covered with a sealing tape and incubated for 4h at 37°C ± 1°C and 5% CO2. Afterwards the medium was removed and replaced by 200 µL 10% SDS solution per well. The plate was covered with sealing tape and incubated in the incubator at 37°C ± 1°C and 5% C02 overnight. After the incubation period the plate was shaken for 10 min and the OD was measured at X = 600 nm.
REPLICATES
Two independent repetitions. Each independent run consisted of three replicates for each concentration step of the test item and the positive control.
Results and discussion
In vitro / in chemico
Resultsopen allclose all
- Key result
- Run / experiment:
- other: Run 2
- Parameter:
- other: Dose-response for luciferase induction
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- not determinable
- Key result
- Run / experiment:
- other: Run 1
- Parameter:
- other: Dose-response for luciferase induction
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- not determinable
- Key result
- Run / experiment:
- other: Run 2
- Parameter:
- other: EC1.5 value < 1000 µM
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- not determinable
- Key result
- Run / experiment:
- other: Run 1
- Parameter:
- other: EC1.5 value < 1000 µM
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- not determinable
- Key result
- Run / experiment:
- other: Run 2
- Parameter:
- other: Cell viability > 70% at lowest concentration with an induction of luciferase activity > 1.5-fold
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- not determinable
- Key result
- Run / experiment:
- other: Run 1
- Parameter:
- other: Cell viability > 70% at lowest concentration with an induction of luciferase activity > 1.5-fold
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- not determinable
- Key result
- Run / experiment:
- other: Run 2
- Parameter:
- other: Imax > 1.5-fold increased
- Value:
- 1.08
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Key result
- Run / experiment:
- other: Run 1
- Parameter:
- other: Imax > 1.5-fold increased
- Value:
- 0.96
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
Any other information on results incl. tables
Table 1: Cytotoxicity
| Concentration [uM] | Cell Viability [%] | |
| Run 1 | Run 2 | |
Solvent Control | - | 100 | 100 |
| 4 | 105.90 | 105.80 |
| 8 | 114.68 | 112.51 |
Positive Control | 16 | 132.81 | 126.61 |
| 32 | 134.96 | 132.24 |
| 64 | 124.17 | 139.76 |
| 0.98 | 95.68 | 107.94 |
| 1.95 | 99.86 | 102.04 |
| 3.9 | 89.21 | 96.40 |
| 7.8 | 88.92 | 90.22 |
| 15.6 | 72.37 | 95.46 |
Test Item | 31.25 | 89.93 | 97.47 |
62.5 | 86.76 | 96.13 | |
| 125 | 89.35 | 99.08 |
| 250 | 76.55 | 97.74 |
| 500 | 72.81 | 95.32 |
| 1000 | 79.57 | 93.58 |
| 2000 | 77.12 | 91.16 |
Table 2: Luciferase activity run 1
| Concentration [uM] | Cell Viability [%] | |
| Run 1 | Run 2 | |
Solvent Control | - | 100 | 100 |
| 4 | 105.90 | 105.80 |
| 8 | 114.68 | 112.51 |
Positive Control | 16 | 132.81 | 126.61 |
| 32 | 134.96 | 132.24 |
| 64 | 124.17 | 139.76 |
| 0.98 | 95.68 | 107.94 |
| 1.95 | 99.86 | 102.04 |
| 3.9 | 89.21 | 96.40 |
| 7.8 | 88.92 | 90.22 |
| 15.6 | 72.37 | 95.46 |
Test Item | 31.25 | 89.93 | 97.47 |
62.5 | 86.76 | 96.13 | |
| 125 | 89.35 | 99.08 |
| 250 | 76.55 | 97.74 |
| 500 | 72.81 | 95.32 |
| 1000 | 79.57 | 93.58 |
| 2000 | 77.12 | 91.16 |
= significant induction according to Student’s t test, p<0.05
Table 3: Luciferase activity run 2
| Concentration [uM] | Fold Induction | Significance | |||
Rep. 1 | Rep. 2 | Rep. 3 | Mean | |||
Solvent Control | - | 1.00 | 1.00 | 1.00 | 1.00 |
|
Positive Control | 4 | 1.13 | 1.17 | 1.18 | 1.16 |
|
8 | 1.36 | 1.27 | 1.26 | 1.30 |
| |
16 | 1.63 | 1.48 | 1.48 | 1.53 | * | |
32 | 2.81 | 1.98 | 2.43 | 2.41 | * | |
64 | 5.72 | 5.28 | 5.58 | 5.53 | * | |
Test Item | 0.98 | 0.88 | 0.95 | 0.97 | 0.93 |
|
1.95 | 1.04 | 0.90 | 0.99 | 0.98 |
| |
3.9 | 1.00 | 0.95 | 0.96 | 0.97 |
| |
7.8 | 1.01 | 0.92 | 1.01 | 0.98 |
| |
15.6 | 0.97 | 0.80 | 0.97 | 0.91 |
| |
31.25 | 1.00 | 1.08 | 0.95 | 1.01 |
| |
62.5 | 1.09 | 0.82 | 0.97 | 0.96 |
| |
125 | 0.96 | 0.80 | 1.13 | 0.96 |
| |
250 | 1.04 | 0.74 | 1.01 | 0.93 |
| |
500 | 1.12 | 0.85 | 1.02 | 1.00 |
| |
1000 | 1.15 | 0.93 | 1.15 | 1.08 |
| |
2000 | 1.15 | 0.96 | 0.99 | 1.03 |
|
= significant induction according to Student’s t test, p<0.05
Table 4: Luciferase activity - overall induction
| Concentration | Fold Induction | |
| [uM] | Run 1 | Run 2 |
Solvent Control | - | 1.00 | 1.00 |
| 4 | 1.19 | 1.16 |
| 8 | 1.54 | 1.30 |
Positive Control | 16 | 2.11 | 1.53 |
| 32 | 4.47 | 2.41 |
| 64 | 28.92 | 5.53 |
| 0.98 | 0.87 | 0.93 |
| 1.95 | 0.84 | 0.98 |
| 3.9 | 0.91 | 0.97 |
| 7.8 | 0.90 | 0.98 |
| 15.6 | 0.96 | 0.91 |
Test Item | 31.25 | 0.76 | 1.01 |
62.5 | 0.76 | 0.96 | |
| 125 | 0.70 | 0.96 |
| 250 | 0.79 | 0.93 |
| 500 | 0.75 | 1.00 |
| 1000 | 0.86 | 1.08 |
| 2000 | 0.81 | 1.03 |
Table 5: Additional parameters
| Run 1 | Run2 | Mean |
EC1.5 [uM] | n.d. | n.d. | n.d. |
imax | 0.96 | 1.08 | 1.02 |
IC30 [uM] | n.d. | n.d. | n.d. |
IC50 [uM] | n.d. | n.d. | n.d. |
n.d. = cannot be determined
Table 6: Acceptability of the test
Run 1;
Acceptance Criterion | Result | |
The luciferase activity induction of the positive control is statistically significant above the threshold of 1.5 (using a t-test) in at least one of the tested concentrations. | 8 uM: 1.54 16 uM: 2.11 32 uM: 4.47 64 uM: 28.92 | Pass |
The average induction in the three technical replicates for the positive control at a concentration of 64 uM is between 2 and 8. | 28.92 | Pass* |
The ECi 5 value of the positive control is within two standard deviations of the historical mean (1.33 uM - 31.19 uM based on the historical data of the testing laboratory). | 7.54 uM | Pass |
The average coefficient of variation (CV) of the luminescence reading for the negative (solvent) control is < 20% in each repetition which is consisting of 6 wells. | 18.7% | Pass |
* If this criterion is not fulfilled, the dose-response of cinnamic aldehyde should be carefully checked, and tests may be accepted only if there is a clear dose-response with increasing luciferase activity induction at increasing concentrations for the positive control according to OECD 442D. A clear dose-response with increasing luciferase activity induction at increasing concentrations for the positive control was observed (see part 11.2) and, thus, this run will be accepted. Run 2: | ||
Acceptance Criterion | Result | |
The luciferase activity induction of the positive control is statistically significant above the threshold of 1.5 (using a t-test) in at least one of the tested concentrations. | 16 pM: 1.53 32 uM: 2.41 64 pM: 5.53 | Pass |
The average induction in the three technical replicates for the positive control at a concentration of 64 uM is between 2 and 8. | 5.53 | Pass |
The ECi 5 value of the positive control is within two standard deviations of the historical mean (1.33 uM - 31.19 uM based on the historical data of the testing laboratory). | 14.96 uM | Pass |
The average coefficient of variation (CV) of the luminescence reading for the negative (solvent) control is < 20% in each repetition which is consisting of 6 wells. | 13.9% | Pass |
The study met all acceptance criteria
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- In this study, the test item did not induce luciferase activity in the transgenic KeratinoSens™ cell line in at least two independent experiment runs. Therefore, the test item can be considered as non-sensitiser.
- Executive summary:
The test item was completely dissolved in treatment culture medium up to a concentration of 2000 µM. In the first run, no significant luciferase induction > 1.5 was found in the tested concentration range. Therefore, no EC1.5 value could be calculated. In the second run, no significant luciferase induction > 1.5 was found in the tested concentration range. Therefore, no EC1.5 value could be calculated. No dose response for luciferase activity induction was observed for each individual run as well as for an overall luciferase activity induction. Under the condition of this study, the test item is therefore considered as non-sensitiser. The data generated with this test should be considered in the context of integrated approached such as IATA, combining the result with other complementary information, e.g. derived from in vitro assays addressing other key events of the skin sensitisation AOP.
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