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EC number: 223-861-6 | CAS number: 4098-71-9
- 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
Acute Toxicity: oral
Administrative data
- Endpoint:
- acute toxicity: oral
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1976
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- No data on purity of test substance
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 976
- Report date:
- 1976
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- Deviations:
- yes
- Remarks:
- ; if relevant deviations exist they are described under materials and methods or as appropriate entries in this endpoint study record
- Principles of method if other than guideline:
- Method based on "Appraisal of the safety of chemicals in foods, drugs and cosmetics" by the staff of the Division of Pharmacology, FDA (1959), complies with OECD Guideline 401 (1981)
- GLP compliance:
- no
- Test type:
- standard acute method
- Limit test:
- no
Test material
- Reference substance name:
- 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate
- EC Number:
- 223-861-6
- EC Name:
- 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate
- Cas Number:
- 4098-71-9
- Molecular formula:
- C12H18N2O2
- IUPAC Name:
- 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
- Details on test material:
- Isophorone diisocyanate of Veba-Chemie AG, Gelsenkirchen (Germany); purity not reported; pH value 5.5
Constituent 1
Test animals
- Species:
- rat
- Strain:
- Wistar
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS:
- Source: Winkelmann, Paderborn (Germany)
- Weight at study initiation: 110-140 g
- diet: Ssniff Intermast; Diet deprived 16 hours before oral application of test substance
- Water ad libitum
ENVIRONMENTAL CONDITIONS:
- Room temperature 22°C;
- Air humidity 45-55%;
- Light 12 hours per day
Administration / exposure
- Route of administration:
- oral: gavage
- Vehicle:
- unchanged (no vehicle)
- Details on oral exposure:
- - Doses: calculated from volume
- Doses per time period: single dose (gavage) - Doses:
- 4.21; 5.29; 6.67; 8.40; 10.58 g/kg bw
- No. of animals per sex per dose:
- 5 male and 5 female per dose
- Control animals:
- no
- Details on study design:
- - Volume administered or concentration: undiluted test substance, 3.98; 5.00; 6.30; 7.94; 10.00 ml/kg bw * 1.058g/ml = 4.21; 5.29; 6.67; 8.40; 10.58 g/kg bw
- Post dose observation period: 14 days
EXAMINATIONS:
central nervous system, lung, heart, heart sac, stomach, large intestine, small intestine, liver, spleen, kidneys, serosa, lymph nodes, gonads, perineum - Statistics:
- - LD50 calculation: according to Litchfield and Wilcoxon, in connection with the Gauß integral
Results and discussion
- Preliminary study:
- not applicable
Effect levels
- Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 4 814 mg/kg bw
- 95% CL:
- >= 4 295 - <= 5 396
- Remarks on result:
- other: 95% CL in mg/kg bw
- Mortality:
- - Time of death: within 3 days
- Number of deaths at each dose 14 days after substance application: 3.98 ml/kg: 2/10 ; 5.00 ml/kg: 8/10 ; 6.30 ml/kg: 10/10; 7.94 ml/kg: 10/10; 10.00 ml/kg: 10/10
- LD50 (24 hours) = 7.10 ml/kg = 7512 mg/kg confidence interval: 6.02 - 8.38 ml/kg
- LD50 (7 days, 14 days) = 4.55 ml/kg = 4814 mg/kg confidence interval: 4.06 - 5.10 ml/kg - Clinical signs:
- other: decrease in activity, diarrhea, piloerection, in higher dose groups also tremor (beginning 20 min after dosing, lasting 24 hours) - .
- Gross pathology:
- NECROPSY FINDINGS: reddening of stomach and intestinal mucosa of dead animals, loss of hair at perineum of survivors
Any other information on results incl. tables
table of results see under attached background material
Applicant's summary and conclusion
- Conclusions:
- Treatment related mortality and other sublethal symptoms were observed in rats within the 14 day post-dosing period for the doses used in this acute oral toxicity study. The LD50 (oral) was calculated to be 4814 mg/kg bw in rats. Under the conditions of this study the acute toxicity of test item after oral exposure in rats was very low
- Executive summary:
The test item was applied once to 5 dose-groups of rats (5 male and 5 female Wistar rats per dose-group) in doses of 3.98 ml/kg bw; 5.00 ml/kg bw; 6.30 ml/kg bw; 7.94 ml/kg bw and 10.00 ml/kg bw of undiluted test item. The observation period was 14 days. At the highest dose (10.00 ml/kg bw) all animals died within 24 hours after oral application of the test item. Clinical signs were reddening of stomach and intestinal mucosa in dead animals.
In all doses groups a decrease in activity, disturbances of coordination, diarrhoea, piloerection, and in higher dose groups (>= 7.94 ml/kg bw) also tremor was observed beginning 20 min after dosing and lasting 24 hours. A loss of hair at perineum was observed among the survivors at the end of the study. Subsequently the surviving animals showed normal behaviour again throughout the observation period. According to this study the LD50 value (oral) was determined to be 4814 mg/kg bw in rats for the test item 3-Isocyanatomethyl-3.5.5-trimethylcyclohexyl isocyanate. Therefore under the conditions of this study the acute toxicity of 3-Isocyanatomethyl-3.5.5-trimethylcyclohexyl isocyanate after oral application in rats is very low.
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