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EC number: 933-047-9 | CAS number: 53880-05-0
- 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:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2011
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay)
- Deviations:
- yes
- Remarks:
- - modified LLNA (IMDS): Measurement of cell counts instead of radioactive labeling. In addition, measurements of ear swelling and ear weights were done to discriminate the irritating potential from the sensitizing potential of the test substance.
- Principles of method if other than guideline:
- Modified LLNA (IMDS; Integrated Model for the Differentiation of Skin Reactions). Modifications are authorized in the OECD TG 429 and in the Note for Guidance SWP/2145/00 of the CPMP (2001). Information on validation of IMDS and scientific justification is given in: Vohr HW et al., Arch. Toxicol., 73, 501-509 (2000); Ehling G et al., Toxicology 212, 60-68 and 69-79 (2005).
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- mouse local lymph node assay (LLNA)
Test material
- Reference substance name:
- Oligomerisation products of 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate and butan-1-ol and pentan-1-ol and 2-ethylhexan-1-ol, allophanate type
- EC Number:
- 933-047-9
- Cas Number:
- 53880-05-0
- Molecular formula:
- not applicable (UVCB substance)
- IUPAC Name:
- Oligomerisation products of 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate and butan-1-ol and pentan-1-ol and 2-ethylhexan-1-ol, allophanate type
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- - Stability under test conditions: The stability of the test item in the vehicle was analytically verified for up to 4 days.
- The test item formulations in the vehicle were visually described as solutions.
In vivo test system
Test animals
- Species:
- mouse
- Strain:
- NMRI
- Sex:
- female
- Details on test animals and environmental conditions:
- TEST ANIMALS
- Strain: Crl: NMRI BR (SPF-bred)
- Source: Charles River Germany Sulzfeld, Sandhofer Weg 7, 97633 Sulzfeld, Germany
- Age at study initiation: 7 weeks
- Weight at study initiation: 28-32 g
- Housing: During the study period the animals were single-housed in Makrolon type II cages.
- Diet and water: ad libitum
- Acclimation period: at least 6 days
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 22 +/- 2
- Humidity (%): 40 -70
- Air changes (per hr): about 10
- Photoperiod (hrs dark / hrs light): 12 / 12
Study design: in vivo (LLNA)
- Vehicle:
- acetone/olive oil (4:1 v/v)
- Concentration:
- 0 (vehicle control), 2, 10, 50 %
- No. of animals per dose:
- 6
- Details on study design:
- TREATMENT PREPARATION AND ADMINISTRATION:
The test item was formulated once before application in A/OO. The formulation was applied epicutaneously onto the dorsal part of both ears of the animals. This treatment was repeated on three consecutive days (d1, d2 and d3). The volume administered was 25 µL/ear. The used concentrations were based on the experiences with the test system and the toxic properties of the test substance. For negative and positive control a dose group treated only with the vehicle A/OO and one treated with hexyl cinnamic aldehyde in A/OO, respectively, in the above described manner was used.
The animals were anaesthetized by inhalation of carbon dioxide and sacrificed one day after the last application (d4). The appropriate organs were then removed. Lymphatic organs (the auricular lymph nodes) were transferred into physiological saline (PBS).
Investigations:
- weight of lymph nodes
- cell counts in lymph nodes
- stimulation index is calculated by dividing the absolute number of weight or cell counts of the substance treated lymph nodes by the vehicle treated ones.
- ear swelling
- ear weight
- body weights - Positive control substance(s):
- hexyl cinnamic aldehyde (CAS No 101-86-0)
- Statistics:
- When it was statistically reasonable, the values from treated groups were compared with those from the control group by a one-way analysis of variance (ANOVA) when the variances are considered homogeneous according to a homogeneity testing like Cochran's test. Alternatively, if the variances are considered to be heterogenous (p<=0.05), a non-parametric Kruskal-Wallis test has been used (Kruskal-Wallis ANOVA) at significance levels of 5 %. Two sided multiple test procedures were done according to Dunnett or Bonferroni-Holm, respectively. Outlying values in the LN weights were eliminated at a probability level of 99 % by Nalimov's method. In addition, for the LLNA/IMDS the smallest significant differentes in the means were calculated by Scheffels method, which according to Sachs can be used for both equal and unequal sample sizes.
Results and discussion
- Positive control results:
- After treatment with Alpha Hexyl Cinnamic Aldehyde mice showed clear increases in the weights of the draining lymph nodes and in the stimulation indices for cell counts compared to control animals, which are of statistical significance.
In vivo (LLNA)
Resultsopen allclose all
- Parameter:
- SI
- Remarks on result:
- other: see Remark
- Remarks:
- The “positive level”, which is 1.4 for cell count indices, has just been exceeded in the high dose group. This increase is of statistical significance. Cell count index (test item concentration): 1.00 (0 %) / 0.88 (2 %) / 1.11 (10 %) / 1.42 (50 %). The EC 1.4 value calculated is 47.42 % for this test item.
- Parameter:
- other: disintegrations per minute (DPM)
- Remarks on result:
- other: modified LLNA; measurement of cell counts instead of radioactive labelling
Any other information on results incl. tables
It has to be clarified that the “positive level” mentioned above is exclusively defined for the NMRI outbreed mice used for this study. Such positive limits have to be calculated for each strain of mice individually.
The mice showed a clear increase in the weights of the draining lymph nodes in the mid and the high dose group, which are of statistical significance, compared to control animals (weight index: 1.0 (0 %), 0.95 (2 %), 1.36 (10 %), 1.46 (50 %)).
Statistically significant increases of the ear swelling and ear weights were determined for the high dose group animals compared to vehicle treated animals (ear swelling: day 1 = 17.42 (0 %) / 16.92 (2 %) / 17.42 (10 %) / 17.75 (50 %); day 4 = 17.75 (0 %) / 17.42 (2 %) / 18.58 (10 %) / 42.00 (50 %); Index day 4 = 1.00 (0 %) / 0.98 (2 %) / 1.05 (10 %) / 2.37 (50 %) ear weight: day 4 = 11.99 (0 %) / 12.21 (2 %) / 12.94 (10 %) / 27.61 (50 %); Index day 4 = 1.00 (0 %) / 1.02 (2 %) / 1.08 (10 %) / 2.30 (50 %)).
The increases in the high dose group may partly be due to left-overs of the test item, which became a very viscous formulation at this concentration (50 %). A thin layer, unremovable from animal hair and wood shavings had been recognized on the ears before sacrifizing the animals. In addition a hairless area around the base of the ears was observed.
The body weights of the animals were not affected by any treatment.
Applicant's summary and conclusion
- Executive summary:
A modified LLNA (IMDS; OECD TG 429) was performed on 6 female NMRI mice per dose group using the substance formulated in acetone/olive oil at 0 % (vehicle control), 2 %, 10 % and 50 %. Compared to controls the mice showed a significant increase in the weights and in the cell counts of the draining lymph nodes. For the cell counts the “positive level” of 1.4 has just been exceeded in the high (50 %) dose group.
Statistically significant increases of ear swelling and ear weights were also determined for high dose animals. An increase in these parameters does point to an acute irritant (inflammatory) response, which may partly be due to left-overs of the test item, which became a very viscous formulation at the high dose concentration (50 %). A thin layer, unremovable from animal hair and wood shavings had been recognized on the ears before sacrificing the animals. In addition a hairless area around the base of the ears was observed.
Due to the irritant property of the test item at the highest concentration it is not quite clear whether the cell proliferation is induced by a non-specific (inflammatory) reaction or a specific (sensitizing) reaction.
Summarizing, a sensitizing potential cannot be excluded by the data presented here. The concentration of 10 % turned out to be the NOEL for the parameters investigated in this study with respect to skin sensitization. The EC 1.4 value calculated was 47.42 %.
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