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EC number: 916-222-4 | 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:
- weight of evidence
- Study period:
- 23 February - 19 April 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442D (In Vitro Skin Sensitisation: ARE-Nrf2 Luciferase Test Method)
- GLP compliance:
- yes
- Type of study:
- activation of keratinocytes
Test material
- Reference substance name:
- Reaction mass of N,N'-ethylenebis[N-methyl-2-[(1-oxo-9-octadecenyl)oxy]-N-[2-[(1-oxo-9-octadecenyl)oxy]propyl]propylammonium] dimethyl disulphate and [2-[bis(2-hydroxypropyl)amino]ethyl]bis(2-hydroxypropyl)(methyl)ammonium methyl sulphate, dioleate (ester)
- EC Number:
- 916-222-4
- Molecular formula:
- C51H99N2O6.CH3O4S
- IUPAC Name:
- Reaction mass of N,N'-ethylenebis[N-methyl-2-[(1-oxo-9-octadecenyl)oxy]-N-[2-[(1-oxo-9-octadecenyl)oxy]propyl]propylammonium] dimethyl disulphate and [2-[bis(2-hydroxypropyl)amino]ethyl]bis(2-hydroxypropyl)(methyl)ammonium methyl sulphate, dioleate (ester)
- Reference substance name:
- Propane-1,2-diol
- EC Number:
- 200-338-0
- EC Name:
- Propane-1,2-diol
- Cas Number:
- 57-55-6
- Molecular formula:
- C3H8O2
- IUPAC Name:
- propylene glycol
Constituent 1
additive 1
- Specific details on test material used for the study:
- Test Item : AGENT 5088-127A
Chemical Name : Reaction mass of [2-[bis(2-hydroxypropyl) amino] ethyl] bis(2- hydroxypropyl)(methyl)ammonium methylsulphate, dioleate (ester) [&]
N N’-ethylenebis[N-methyl-2-[(1-oxo-9-octadecnyl)oxy]-N-[2-[{1-oxo-9-octadecenyl}oxy]propyl]propylammonium] dimethyldisulphide
EC No. : 916-222-4
Purity as per COA : 100%
Physical Appearance : Solid
Batch No. : 5124-143-001
Manufactured Date : 20.12.2017
Expiry date : 20.12.2020
In vitro test system
- Details on the study design:
- Skin sensitisation (In vitro test system) - Details on study design:
The ARE-Nrf2 Luciferase test method using KeratinoSens™ is an in vitro method which quantifies luciferase gene induction following 48 h treatment with test chemicals. Contact sensitizers which activate Nrf2-ARE regulatory pathways in cells, up-regulate the luciferase gene induction in G16210_KeratinoSens Page 13/37 Copy No. 2/2 KeratinoSens™ which are stably transfected with Luciferase gene under transcriptional control of promoter fused with ARE element. Luciferase gene induction is measured in the cell lysates by luminescence detection using a well-established light producing luciferase substrate. Fold induction of Luciferase activity is then calculated and used in a prediction model which allows assigning the test chemical to discriminate between sensitizers and non-sensitizers.
Commercially available DMEM was supplemented with the following
• Fetal Bovine Serum (FBS) to a final concentration of 9.1% in
medium.
• Geneticin final concentration 500 μg/mL.
• Penicillin 100 IU/mL
• Streptomycin 100 μg/mL
Treamtment Medium
Commercially available DMEM was supplemented with FBS to a final concentration of 1% in the medium. The medium was stored at 2 - 8°C until use.
Positive Control Solution
A volume of 5.3 μL of Cinnamaldehyde was mixed with 194.7 μL of DMSO to a stock concentration of 200 mM. A final concentration of 6.4 mM was prepared by further diluting 32 μL of the 200 mM stock solution in 968 μl of DMSO.
Luciferase Substrate
Each bottle containing Lyophilized luciferase powder was mixed with 10 mL of luciferase assay solution and mixed well. Preparation was done before use in the assay.
Passive Lysis Buffer (1x)
One part of passive lysis buffer (5x) was mixed to four parts of milli-Q water.
Solubility Test
Solubility check was done for the highest concentration 40 mg/mL was done by mixing 48 mg of the test item with 1.2 mL of DMSO and voxtexed.
Test Solution Preparation
Test item solution was prepared on 4 days i, e on 19th, 21st, 23rd and 24th March 2018. On all the four days test item solution at a final concentration of 40 mg/mL was prepared in DMSO. The test item solution at 40 mg/mL was prepared
Results and discussion
- Positive control results:
- Experiment 1: The positive control Cinnamaldehyde caused a dose related induction of the luciferase activity.The EC1.5 was 15.41 μM.
Experiment 2: The positive control Cinnamaldehyde caused a dose related induction of the luciferase activity.The EC1.5 was 10.78 μM.
Experiment 3: The positive control Cinnamaldehyde caused a dose related induction of the luciferase activity.The EC1.5 was 16.07 μM.
In vitro / in chemico
Resultsopen allclose all
- Key result
- Run / experiment:
- other: 1
- Parameter:
- other: Imax
- Value:
- 1.83
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Key result
- Run / experiment:
- other: 2
- Parameter:
- other: Imax
- Value:
- 2.25
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Key result
- Run / experiment:
- other: 3
- Parameter:
- other: Imax
- Value:
- 1.46
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Key result
- Run / experiment:
- other: 1
- Parameter:
- other: EC1.5
- Value:
- 6.25
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Key result
- Run / experiment:
- other: 2
- Parameter:
- other: EC1.5
- Value:
- 25
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Key result
- Run / experiment:
- other: 3
- Parameter:
- other: EC1.5
- Value:
- 12.5
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Other effects / acceptance of results:
- OTHER EFFECTS:
- Visible damage on test system: no
Any other information on results incl. tables
Maximal Gene Induction (Imax)
The maximal gene induction (Imax) shows the dynamic range of gene induction by the test item and positive control. As the prediction model rates any chemical positive with an Imax, which is statistically significant above solvent control and above the threshold of 1.5, the absolute value of the Imax is not very important for the prediction.
The maximum gene induction Imax was calculated as below
Test Item Imax Imax
Rep 1 Rep 2 Rep 3 (avg)
S047-01 1.83* 2.25* 1.46 1.85
* Imax at the cytotoxic concentration
EC 1.5 Concentration values
For each experiment, EC1.5 value is calculated automatically in the summary sheet, this already indicates that the gene induction is statistically significant at the corresponding concentration according to a T-test. EC 1.5 concentration values for the test item was tabulated below.
Test Item Imax Concentration (μg/mL) Cytotoxicity
Rep 1 Rep 2 Rep 3 Rep 1 Rep 2 Rep 3 Rep 1 Rep 2 Rep 3
S047 - 01 1.83 2.25 1.46 6.25 25 12.5 Cytotox Cytotox Noncytotox
There was statistically siginificant induction in two of the three repetitions but at the cytotoxic concentrations. No significant induction at the noncytotoxic concentration was observed.
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Based on these results it is concluded that the test item AGENT 5088-127A is a non-sensitizer in the in vitro skin sensitization assay by ARE-Nrf2 Luciferase test method (KeratinoSensTM assay).
- Executive summary:
The potential of the test item AGENT 5088-127A to cause skin sensitisation was evaluated in ARE-Nrf2 Luciferase Test (KeratinoSensTM Assay).
KeratinoSensTM assay is an in vitro cell based assay in which the keratinoSensTM cells were exposed to the test item for 48 hours and subsequently measured for luciferase activity using a luminometer. The assay was run in 96 well plates, and test item was tested at 12 concentrations ranging form 0.195 μg/mL to 400 μg/mL along with the vehicle control, control blank and the reference compound cinnamic aldehyde ranging from 4 μM to 64 μM. Each plate was tested in parallel in triplicate for analysis of luciferase induction and one additional replicate plate was used for cytotoxicity assessment. The full test in triplicate analysis was independently conducted three times. The cells were exposed to the test concentrations for 48 ± 2 hours at 37 °C in a carbondioxide incubator. After the exposure time luciferase substrate was added and the luminescence activity at each concentration was integrated for 1500 ms (1.5 Seconds). The viability assay plates containing the cells were treated with treatment medium containing MTT solution. After overnight incubation, the absorbance was read at 600 nm using a photometer. The luminescence reading and the absorbance reading obtained were analyzed in an excel sheet provided by Givaduan. The test item AGENT 5088-127A did not show any statistically significant induction above the threshold of 1.5 or 50 % at any of the non-cytotoxic concentration over the solvent control. Under the same circumstances the positive control cinnamaldehyde showed statistically significant induction over the solvent control confirming the sensitivity of the assay.
Based on these results it is concluded that the test item AGENT 5088-127A is a non-sensitizer in the in vitro skin sensitization assay by ARE-Nrf2 Luciferase test method (KeratinoSens assay).
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