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EC number: 275-604-2 | CAS number: 71550-24-8
- 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
Endpoint summary
Administrative data
Description of key information
Two tests of the AOP for skin sensitization were performed on the substance:
The substance was tested in the DPRA test according to OECD 442C. Samples prepared for lysine depletion assessment showed phase separation and therefore these results were considered less reliable. Based on prediction model 2 the substance is considered a non-sensitizer.
In the in vitro KeratinoSens™ assay cells were incubated with the substance for 48 h at 37°C. After exposure cells were lysed and luciferase activity was assessed by luminescence measurement.
In two experiments maximum luciferase activity (Imax) induction of 3.69 and 1.75 were determined at a substance concentration of 500 µM with calculated EC1.5 values of < 200 µg/mL (56.09 µg/mL) and < 200 µg/mL (81.12 µg/mL) respectively. 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-sensitizer.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 8 February 2017 to 4 March 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- the average molecular weight used for the calculation of the 100 mM stock concentration was not correct
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Principles of method if other than guideline:
- The average molecular weight (278.19 g/mol) was used to calculate the doses tested.
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- direct peptide reactivity assay (DPRA)
- Justification for non-LLNA method:
- in chemico method as required according to ECHA guidelines
- Details on the study design:
- Skin sensitisation (In chemico test system): according to OECD 442C with the appropriate controls
RC A = accuracy control
RC B = stability control
RC C = solvent control - Positive control results:
- cysteine:
SD of peptide depletion of the PC replicates < 14.9% actual 0.58
SD of peptide depletion of the TI replicates < 14.9% actual 0.40
lysine:
SD of peptide depletion of the PC replicates < 11.6% actual 0.72
SD of peptide depletion of the TI replicates < 11.6% actual 0.47 - Key result
- Parameter:
- other: cysteine depletion %
- Value:
- 0.23
- Key result
- Parameter:
- other: lysine depletion %
- Value:
- 4.11
- Remarks on result:
- other: not valid because of phase separation
- Other effects / acceptance of results:
- After the 24 h ± 2 h incubation period but prior to the HPLC analysis samples of the cysteine peptide run were inspected for precipitation, turbidity or phase separation. No precipitation, turbidity or phase separation was observed for the samples of the test item. Precipitation was observed for the samples of the positive control. Samples were not centrifuged prior to the HPLC analysis (no interference with the system).
After the 24 h ± 2 h incubation period but prior to the HPLC analysis samples of the lysine peptide run were inspected for precipitation, turbidity or phase separation. Phase separation was observed for the samples of the test item, samples were not centrifuged prior to the HPLC analysis. Turbidity and phase separation was observed for the samples of the positive control. Samples were not centrifuged prior to the HPLC analysis (no interference with the system).
The average molecular weight used for the calculation of the 100 mM stock concentration was not correct. It is expected that the concentration tested was too high. - Interpretation of results:
- GHS criteria not met
- Conclusions:
- Based on the outcome of the test the preliminary conclusion is that the substance is non-sensitizing. The mean depletion of the cysteine peptide was ≤ 13.89% (0.23%). Based on the prediction model 2 the test item can be considered as non-sensitiser (since turbidity was observed immediately after mixing of the test item solution with the lysine peptide and this may lead to an underestimation of the lysine reactivity)
- Executive summary:
The substance was tested in the DPRA test according to OECD 442C. Samples prepared for lysine depletion assessment showed phase separation and therefore these results were considered less reliable. Based on prediction model 2 the substance is considered a non-sensitizer.
Predicition Model
Prediction Model 1
(Cysteine Peptide and Lysine Peptide / Ratio: 1:10 and 1:50)Prediction Model 2
(Cysteine Peptide / Test Item Ratio: 1:10)Test Substance
Mean Peptide Depletion [%]
Reactivity Category
Prediction
Mean Peptide Depletion [%]
Reactivity Category
Prediction
Test Item
n.a
n.a
n.a
0.23
Minimal Reactivity
no sensitizer
Positive Control
65.26
High Reactivity
sensitizer
78.90
Moderate Reactivity
sensitizer
- Endpoint:
- skin sensitisation: in vitro
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 06 February 2017 to 17 February 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442D (In Vitro Skin Sensitisation: ARE-Nrf2 Luciferase Test Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- activation of keratinocytes
- Justification for non-LLNA method:
- in vitro study
- Details on the study design:
- - cells line: transgenic cell line KeratinoSens™ , a cell line derived from human keratinocytes (HaCaT) transfected with a stable insertion of the Luciferase construct.
- source: Givaudan, Switzerland
- culturing: in 75 cm2 culture flasks (Greiner) in maintenance medium (Dulbecco’s Modified Eagle Medium with 1.0 g/L D-glucose and Na-Pyruvate, supplemented with 10% fetal bovine calf serum and 1% geneticin)
- storage conditions: at 37 ± 1°C and 5% CO2
- Passage number: exp 1: 10 P; exp 2: 12P
- test medium: DMEM with 1.0 g/L D-glucose and Na-Pyruvate, supplemented with 10% fetal bovine calf serum
- vehicle for test substance: DMSO: 1% (v/v) in DMEM with 1.0 g/L D-glucose and Na-Pyruvate, supplemented with 1% fetal bovine calf serum
- Concentrations: 2000, 1000, 500, 250, 125, 61.5, 31.25, 15.63, 7.81, 3.91, 1.95, 0.98 µM (1% DMSO)
- Negative control: vehicle
- Positive control: Cinnamic aldehyde: 4 µM, 8 µM, 16 µM; 32 µM; 64 µM (1% DMSO)
- luciferase substrate used: kit from Promega containing 10 x Luciferase Assay Substrate (lyophilized), 10 x 10 mL Luciferase Assay Buffer and 30 mL Luciferase Cell Culture Lysis 5x Reagent
- Luminometer used (e.g. model), including instrument settings: no data
- Historical controls: data included
Acceptability criteria:
- 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
- the average induction in the three technical replicates for the positive control at a concentration of 64 µM is between 2 and 8
- the EC1.5 value of the positive control is within two standard deviations of the historical mean
- the average coefficient of variation (CV; consisting of 6 wells) of the luminescence reading for the negative (solvent) control DMSO is <20% in each repetition.
Positive result when:
- Imax is >1.5 fold increased and statistically significant (p <0.05) compared to the negative control
- cell viability is >70% at the lowest concentration with an induction of luciferase activity >1.5
- EC1.5 value is < 200 µg/mL
- an apparent overall dose-response for luciferase induction - Positive control results:
- within ranges required
- Key result
- Run / experiment:
- other: exp 1
- Parameter:
- other: Imax > 1.5
- Remarks:
- at 500 µM
- Value:
- 3.08
- Vehicle controls validity:
- valid
- Positive controls validity:
- valid
- Key result
- Run / experiment:
- other: exp 2
- Parameter:
- other: Imax >1.5
- Remarks:
- at 500 µM
- Value:
- 1.69
- Vehicle controls validity:
- valid
- Positive controls validity:
- valid
- Parameter:
- other: viability at 0.98-250 µM
- Value:
- 118.5
- Vehicle controls validity:
- not applicable
- Remarks:
- 100% default
- Positive controls validity:
- valid
- Remarks:
- viability 110-139%
- Parameter:
- other: viability at 500 µM
- Value:
- 87.7
- Parameter:
- other: viability at 1000 and 2000 µM
- Value:
- 0
- Other effects / acceptance of results:
- see tables below
- Interpretation of results:
- study cannot be used for classification
- Conclusions:
- The data generated with this method may be not sufficient to conclude on the absence of skin sensitisation potential of chemicals and should be considered in the context of integrated approach such as IATA.
Under the condition of this study the substance is considered as non sensitiser. - Executive summary:
In the in vitro KeratinoSens™ assay cells were incubated with 2000, 1000, 500, 250, 125, 61.5, 31.25, 15.63, 7.81, 3.91, 1.95, 0.98 µM of the substance for 48 h at 37°C. After exposure cells were lysed and
luciferase activity was assessed by luminescence measurement.
In the first experiment, a max luciferase activity (Imax) induction of 3.69 was determined at a substance concentration of 500 µM. The corresponding cell viability was 71.4%. %. Only at a substance concentration of 500 µM a significant luciferase induction >1.5 was found. The calculated EC1.5 was < 200 µg/mL (56.09 µg/mL).
In the second experiment, a max luciferase activity (Imax) induction of 1.75 was determined at a substance concentration of 500 µM. The corresponding cell viability was 103.2%. Only at a substance oncentration of 500 µM a significant luciferase induction >1.5 was found. The calculated EC1.5 was < 200 µg/mL (81.12 µg/mL).
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.
Referenceopen allclose all
Cysteine Peptide |
||||||
Sample |
Peak Area |
Peptide Conc. [mM] |
Peptide Depletion [%] |
Mean Peptide Depletion [%] |
SD of Peptide Depletion [%] |
CV of Peptide Depletion [%] |
Positive Control |
906.9033 |
0.1111 |
78.63 |
78.90 |
0.58 |
0.74 |
867.1926 |
0.1064 |
79.57 |
||||
912.4229 |
0.1118 |
78.50 |
||||
Test Item |
4312.5039 |
0.5147 |
0.00* |
0.23 |
0.40 |
173.21 |
4211.7358 |
0.5027 |
0.00* |
||||
4154.0147 |
0.4959 |
0.69 |
* Values were set to Zero due do negative depletion
Lysine Peptide |
||||||
Sample |
Peak Area |
Peptide Conc. [mM] |
Peptide Depletion [%] |
Mean Peptide Depletion [%] |
SD of Peptide Depletion [%] |
CV of Peptide Depletion [%] |
Positive Control |
2051.3940 |
0.2418 |
52.31 |
51.62 |
0.72 |
1.39 |
2078.4993 |
0.2450 |
51.68 |
||||
2113.1423 |
0.2491 |
50.87 |
||||
Test Item |
4059.3049 |
0.4790 |
3.65 |
4.11 |
0.47 |
11.32 |
4020.0920 |
0.4744 |
4.58 |
||||
4040.4526 |
0.4768 |
4.10 |
Parameter |
Experiment 1 |
Experiment 2 |
Mean |
SD |
EC1.5[µM] |
280.44 |
405.62 |
343.03 |
88.51 |
Imax |
3.69 |
1.75 |
2.72 |
1.37 |
IC30 [µM] |
510.11 |
661.12 |
585.62 |
106.78 |
IC50 [µM] |
650.58 |
758.17 |
704.37 |
76.08 |
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
As the substance is corrosive, no further testing for the sensitization endpoint was performed.
According to column II of Annex VII sensitization testing can be waived if the substance is corrosive to the skin.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Based on the information available the substance does not need to be classified for sensitization according to Regulation (EC) No 1907/2006.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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