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EC number: 947-147-5 | CAS number: -
- 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:
- key study
- Study period:
- Experimental Start Date: 11 March 2019 Experimental Completion Date: 28 March 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Annex VIII Data Requirement
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442D (In Vitro Skin Sensitisation: ARE-Nrf2 Luciferase Test Method)
- Version / remarks:
- June 2018
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- activation of keratinocytes
- Justification for non-LLNA method:
- In Chemico / in vitro tests are required to be performed prior to the performance of in vivo studies (Section 8.3.1 of Annex VII of the REACH Regulation).
Test material
- Reference substance name:
- Sodium N-[(2-hydroxy-5-nonylphenyl)methyl]-N-methylaminoacetate
- EC Number:
- 260-483-0
- EC Name:
- Sodium N-[(2-hydroxy-5-nonylphenyl)methyl]-N-methylaminoacetate
- Cas Number:
- 56968-08-2
- Molecular formula:
- C19H31NO3.Na
- IUPAC Name:
- Sodium N-[(2-hydroxy-5-nonylphenyl)methyl]-N-methylaminoacetate
- Reference substance name:
- Disodium N,N'-[(2-hydroxy-5-nonylphen-1,3-ylene)bis(methylene)]bis[N-methylaminoacetate]
- EC Number:
- 263-601-9
- EC Name:
- Disodium N,N'-[(2-hydroxy-5-nonylphen-1,3-ylene)bis(methylene)]bis[N-methylaminoacetate]
- Cas Number:
- 62568-43-8
- Molecular formula:
- C23H38N2O5.2Na
- IUPAC Name:
- disodium N,N’-[(2-hydroxy-5-nonylphen-1,3-ylene)]bis[N-methylaminoacetate]
- Test material form:
- solid
Constituent 1
Constituent 2
Results and discussion
- Positive control results:
- The luciferase activity induction obtained with the positive control, cinnamic aldehyde, was statistically significant above the threshold of 1.5 in at least one of the tested concentrations (4 to 64 μM) in all tests.
The EC1.5 values of the positive control, cinnamic aldehyde, were 8.00 μM, 14.30 μM and 14.61 μM for test 1, 2 and 3, respectively, which lay within the historical control range for this laboratory. The average induction in the three replicates for cinnamic aldehyde at 64 µM were 4.46, 4.33 and 4.69 for test 1, 2 and 3, respectively, which met the acceptance criterion of between 2 and 8.
In vitro / in chemico
Resultsopen allclose all
- Key result
- Run / experiment:
- other: 1
- Parameter:
- other: EC1.5
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Remarks:
- The Imax was 1.14 in test 1 which was <1.5 fold compared to the DMSO control and therefore the EC1.5 could not be calculated.
- Key result
- Run / experiment:
- other: 2
- Parameter:
- other: EC1.5
- Value:
- 7.48
- Positive controls validity:
- valid
- Remarks on result:
- positive indication of skin sensitisation
- Key result
- Run / experiment:
- other: 3
- Parameter:
- other: EC1.5
- Value:
- 7.12
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
Any other information on results incl. tables
Reaction mass of disodium N,N’-[(2-hydroxy-5-nonylphen-1,3-ylene)bis(methylene)]bis[N-methylaminoacetate] and sodium N-[(2-hydroxy-5-nonylphenyl)methyl]-N-methylaminoacetate – Test 1
Test item conc. (µg/mL) |
0.20 |
0.39 |
0.78 |
1.56 |
3.13 |
6.25 |
12.5 |
25 |
50 |
100 |
200 |
400 |
Mean fold induction |
0.90 |
0.93 |
0.97 |
1.11 |
1.14 |
0.86 |
0.99 |
1.10 |
0.17 |
0.00 |
0.00 |
0.00 |
Statistically significant |
No |
No |
No |
No |
No |
No |
No |
No |
No |
No |
No |
No |
Viability (%) |
109.16 |
99.06 |
94.61 |
94.52 |
78.25 |
77.05 |
55.48 |
44.18 |
23.63 |
3.85 |
0.60 |
0.77 |
Imax |
1.14 |
|
||||||||||
EC1.5(µg/mL) |
N/A |
|||||||||||
IC30(µg/mL) |
8.29 |
|||||||||||
IC50(µg/mL) |
18.56 |
Determination criteria for the skin sensitisation potential of the test item |
Result |
Is the Imax>1.5 fold and statistically significant |
No |
Is the cellular viability >70% at the EC1.5determining concentration |
N/A |
Is the EC1.5value < 200 µg/mL |
N/A |
Is there an apparent overall dose-response for luciferase induction |
No |
KeratinoSens™ prediction |
Negative |
Cinnamic aldehyde – Test 1
Positive control conc. (µM) |
4 |
8 |
16 |
32 |
64 |
Mean fold induction |
1.18 |
1.50 |
2.17 |
2.82 |
4.46 |
Statistically significant |
No |
Yes |
Yes |
Yes |
Yes |
Viability (%) |
96.66 |
108.56 |
113.10 |
114.81 |
114.73 |
Imax |
4.46 |
|
|||
EC1.5(µM) |
8.00 |
||||
IC30(µM) |
N/A |
||||
IC50(µM) |
N/A |
Test Acceptance Criteria |
Result |
|
Luciferase activity induction obtained with the positive control statistically significant above the threshold of 1.5 in at least one of the test concentrations |
Yes |
Pass |
Average induction of positive control at 64 µM between 2 – 8 |
Yes (4.46) |
Pass |
EC1.5of positive control within two standard deviations of the historical mean (‑4.70 to 32.10) |
Yes (8.00) |
Pass |
CV% of blank values < 20% |
Yes (15.5%) |
Pass |
Reaction mass of disodium N,N’-[(2-hydroxy-5-nonylphen-1,3-ylene)bis(methylene)]bis[N-methylaminoacetate] and sodium N-[(2-hydroxy-5-nonylphenyl)methyl]-N-methylaminoacetate – Test 2
Test item conc. (µg/mL) |
0.20 |
0.39 |
0.78 |
1.56 |
3.13 |
6.25 |
12.5 |
25 |
50 |
100 |
200 |
400 |
Mean fold induction |
0.98 |
0.97 |
1.05 |
1.15 |
1.16 |
1.12 |
3.05 |
1.04 |
0.24 |
0.00 |
0.00 |
0.00 |
Statistically significant |
No |
No |
No |
No |
No |
No |
Yes |
No |
No |
No |
No |
No |
Viability (%) |
103.92 |
109.63 |
102.02 |
95.70 |
97.09 |
89.82 |
62.82 |
44.48 |
28.04 |
4.07 |
0.69 |
1.90 |
Imax |
3.05 |
|
||||||||||
EC1.5(µg/mL) |
7.48 |
|||||||||||
IC30(µg/mL) |
10.84 |
|||||||||||
IC50(µg/mL) |
21.24 |
Determination criteria for the skin sensitisation potential of the test item |
Result |
Is the Imax>1.5 fold and statistically significant |
Yes |
Is the cellular viability >70% at the EC1.5determining concentration |
Yes |
Is the EC1.5value < 200 µg/mL |
Yes |
Is there an apparent overall dose-response for luciferase induction |
Yes |
KeratinoSens™ prediction |
Positive |
Cinnamic aldehyde – Test 2
Positive control conc. (µM) |
4 |
8 |
16 |
32 |
64 |
Mean fold induction |
1.26 |
1.26 |
1.57 |
2.28 |
4.33 |
Statistically significant |
No |
No |
|
|
|
Viability (%) |
104.27 |
106.43 |
105.13 |
121.75 |
116.12 |
Imax |
4.33 |
|
|||
EC1.5(µM) |
14.30 |
||||
IC30(µM) |
N/A |
||||
IC50(µM) |
N/A |
Test Acceptance Criteria |
Result |
|
Luciferase activity induction obtained with the positive control statistically significant above the threshold of 1.5 in at least one of the test concentrations |
Yes |
Pass |
Average induction of positive control at 64 µM between 2 – 8 |
Yes (4.33) |
Pass |
EC1.5of positive control within two standard deviations of the historical mean (-4.70 to 32.10) |
Yes (14.30) |
Pass |
CV% of blank values < 20% |
Yes (15.4%) |
Pass |
Reaction mass of disodium N,N’-[(2-hydroxy-5-nonylphen-1,3-ylene)bis(methylene)]bis[N-methylaminoacetate] and sodium N-[(2-hydroxy-5-nonylphenyl)methyl]-N-methylaminoacetate – Test 3
Test item conc. (µg/mL) |
0.20 |
0.39 |
0.78 |
1.56 |
3.13 |
6.25 |
12.5 |
25 |
50 |
100 |
200 |
400 |
Mean fold induction |
1.22 |
1.16 |
1.24 |
1.44 |
1.47 |
1.14 |
3.72 |
0.77 |
0.01 |
0.00 |
0.00 |
0.00 |
Statistically significant |
No |
No |
No |
No |
No |
No |
Yes |
No |
No |
No |
No |
No |
Viability (%) |
90.47 |
82.76 |
72.73 |
66.21 |
64.62 |
64.29 |
49.98 |
29.34 |
3.30 |
3.23 |
0.99 |
1.78 |
Imax |
3.72 |
|
||||||||||
EC1.5(µg/mL) |
7.12 |
|||||||||||
IC30(µg/mL) |
1.11 |
|||||||||||
IC50(µg/mL) |
12.49 |
Determination criteria for the skin sensitisation potential of the test item |
Result |
Is the Imax>1.5 fold and statistically significant |
Yes |
Is the cellular viability >70% at the EC1.5determining concentration |
No |
Is the EC1.5value < 200 µg/mL |
Yes |
Is there an apparent overall dose-response for luciferase induction |
Yes |
KeratinoSens™ prediction |
Negative |
Cinnamic aldehyde – Test 3
Positive control conc. (µM) |
4 |
8 |
16 |
32 |
64 |
Mean fold induction |
1.14 |
1.24 |
1.56 |
2.20 |
4.69 |
Statistically significant |
No |
No |
Yes |
Yes |
Yes |
Viability (%) |
99.04 |
106.82 |
98.78 |
109.92 |
113.95 |
Imax |
4.69 |
|
|||
EC1.5(µM) |
14.61 |
||||
IC30(µM) |
N/A |
||||
IC50(µM) |
N/A |
Test Acceptance Criteria |
Result |
|
Luciferase activity induction obtained with the positive control statistically significant above the threshold of 1.5 in at least one of the test concentrations |
Yes |
Pass |
Average induction of positive control at 64 µM between 2 – 8 |
Yes (4.69) |
Pass |
EC1.5of positive control within two standard deviations of the historical mean (-4.70 to 32.10) |
Yes (14.61) |
Pass |
CV% of blank values < 20% |
Yes (10.1%) |
Pass |
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- It was concluded that the test item gave a negative response in the ARE-Nrf2 Luciferase Test (KeratinoSens™), supporting the prediction that the test item is not a skin sensitizer.
- Executive summary:
The purpose of this study was to support a predictive, adverse-outcome-pathway evaluation of whether the test item, Reaction mass of disodium N,N’-[(2-hydroxy-5-nonylphen-1,3-ylene)bis(methylene)]bis[N-methylaminoacetate] and sodium N-[(2-hydroxy-5-nonylphenyl)methyl]-N-methylaminoacetate, is likely to be a skin sensitizer using the ARE-Nrf2 Luciferase Test (KeratinoSens™).
The Imaxwas 1.14 in test 1 which was <1.5 fold compared to the DMSO control and therefore the EC1.5could not be calculated. The IC30value was 8.29 µg/mL and the IC50value was 18.56 µg/mL. The graph showed no overall dose-response for luciferase induction.
The Imaxwas 3.05 in test 2 which was >1.5 fold and statistically significant when compared to the DMSO control. The EC1.5was 7.48 µM. The IC30value was 10.84 µg/mL and the IC50value was 21.24 µg/mL. The graph showed an overall dose-response for luciferase induction.
The Imaxwas 3.72 in test 3 which was >1.5 fold and statistically significant when compared to the DMSO control. The EC1.5was 7.12 µM. The IC30value was 1.11 µg/mL and the IC50value was 12.49 µg/mL. The graph showed an overall dose-response for luciferase induction.
The KeratinoSens™ prediction was negative in the first test and positive in the second test. As these results were discordant a third test was conducted. In test 3 the test item gave a positive response but only at a cytotoxic concentration and therefore the prediction was negative.
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