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EC number: 228-668-0 | CAS number: 6320-14-5
- 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 vivo (LLNA)
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Justification for type of information:
- data is from safety assessment reports
Data source
Reference
- Reference Type:
- secondary source
- Title:
- LLNA assay for the test chemical
- Author:
- OECD QSAR toolbox v3.4
- Year:
- 2 018
- Bibliographic source:
- OECD QSAR toolbox v3.4, 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay)
- Principles of method if other than guideline:
- To assess the dermal sensitization potential of the test chemical in mice
- GLP compliance:
- not specified
- Type of study:
- mouse local lymph node assay (LLNA)
Test material
- Reference substance name:
- Ammonium 4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]vinyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethyl-benzo[e]indol-3-yl]butane-1-sulfonate
- Cas Number:
- 1073607-50-7
- Molecular formula:
- C46H54ClN3O6S2
- IUPAC Name:
- Ammonium 4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]vinyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethyl-benzo[e]indol-3-yl]butane-1-sulfonate
- Test material form:
- solid
- Details on test material:
- Name of the test chemical:
Ammonium 4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]vinyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethyl-benzo[e]indol-3-yl]butane-1-sulfonate
Molecular Formula: C46H50ClN2O6S2.H4N
Molecular Weight: 844.53 g/mol
Substance Type: Organic
Physical State: Solid
Constituent 1
In vivo test system
Test animals
- Species:
- mouse
- Strain:
- CBA
- Sex:
- female
- Details on test animals and environmental conditions:
- TEST ANIMALS
- Females (if applicable) nulliparous and non-pregnant: [yes/no/not specified]:nulliparous and non-pregnant
- Age at study initiation:young adult animals (approx. 9 weeks olds)
- Weight at study initiation: body weight variation was within +/- 20% of the sex mean.
Study design: in vivo (LLNA)
- Vehicle:
- propylene glycol
- Concentration:
- 10%, 25% and 50%
- No. of animals per dose:
- 20 females (nulliparous and non-pregnant)
- Details on study design:
- vehicle control: 0% test substance, 100% propylene glycol
- Positive control substance(s):
- hexyl cinnamic aldehyde (CAS No 101-86-0)
- Statistics:
- no data available
Results and discussion
- Positive control results:
- The SI values calculated for the substance concentrations 5, 10 and 25% were 1.5, 1.9 and 6.1 respectively. An EC3 value of 13.9% was calculated using linear interpolation. The calculated EC3 value was found to be in the acceptable range of 2 and 20%. The results of the 6 monthly HCA reliability checks of the recent years were 9.5, 13.1, 14.1 and 13.8%.
In vivo (LLNA)
Results
- Parameter:
- SI
- Test group / Remarks:
- 5 per group
- Remarks on result:
- other: The SI values calculated for the substance concentrations 10, 25 and 50% were 1.1, 2.1 and 2.7 respectively.
- Cellular proliferation data / Observations:
- Mean DPM/animal values for the experimental groups treated with test substance concentrations 10, 25 and 50% were 311, 590 and 782 respectively. The mean DPM/animal value for the vehicle control group was 287.
Any other information on results incl. tables
Skin reactions/irritation: Green/brown staining by the test substance prevented scoring for erythema. No oedema was observed in any of the animals examined. Macroscopy of the auricular lymph nodes and surrounding area: All nodes of the experimental and control groups were considered normal in size, except for the lymph nodes of one animal at 50%. No macroscopic abnormalities of the surrounding area were noted.
Body weights: Body weights and body weight gain of experimental animals remained in the same range as controls over the study period.
Toxicity and mortality: No mortality occurred and no symptoms of systemic toxicity were observed in the animals of the main study.
Applicant's summary and conclusion
- Interpretation of results:
- other: not sensitizing
- Conclusions:
- The SI values calculated for the substance concentrations 10, 25 and 50% were 1.1, 2.1 and 2.7 respectively.Since there was no indication that the test substance elicits an SI>=3 when tested up to 50%, the
test substance was considered not to be a skin sensitizer. - Executive summary:
LLNA assay was conducted to determine the dermal sensitization potential of the test chemical.The study was performed according to OECD 429 Guidelines. 20 females (nulliparous and non-pregnant)CBA mice were used for the study. 10%, 25% and 50% of the test chemical in propylene glycol was applied to the ears of mice.Hexyl cinnamic aldehyde and propylene glycol were used as positive and vehicle controls respectively.
After few days following the initial application, draining lymph nodes were excised. A single cell suspension of LNC was prepared. Incorporation of [3H]TdR was measured, and recorded as mean cpm ± standard deviation (SD) per node of three mice for each group.The incorporation of [3H]TdR was measured using a liquid scintillation counter and expressed as mean counts per min (cpm) + standard deviation per node of three animals for each test group. Increases in [3H]TdR incorporation relative to vehicle-treated controls were calculated for each test group and expressed as stimulation indices (SI). The SI values calculated for the substance concentrations 5, 10 and 25% were 1.5, 1.9 and 6.1 respectively. An EC3 value of 13.9% was calculated using linear interpolation. The calculated EC3 value was found to be in the acceptable range of 2 and 20%. The results of the 6 monthly HCA reliability checks of the recent years were 9.5, 13.1, 14.1 and 13.8%.
The SI values calculated for the substance concentrations 10, 25 and 50% were 1.1, 2.1 and 2.7 respectively.Since there was no indication that the test substance elicits an SI>=3 when tested up to 50%, the
test substance was considered not to be a skin sensitizer.
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