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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
Acute Toxicity: inhalation
Administrative data
- Endpoint:
- acute toxicity: inhalation
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 403 (Acute Inhalation Toxicity)
- Version / remarks:
- (2009)
- Qualifier:
- according to guideline
- Guideline:
- other: OECD Guidance Document No. 39 (2009)
- GLP compliance:
- yes (incl. QA statement)
- Test type:
- standard acute method
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
- Reference substance name:
- N-butyl acetate
- EC Number:
- 204-658-1
- EC Name:
- N-butyl acetate
- Cas Number:
- 123-86-4
- Molecular formula:
- C6H12O2
- IUPAC Name:
- butyl acetate
- Test material form:
- liquid: viscous
Constituent 1
additive 1
Test animals
- Species:
- rat
- Strain:
- Wistar
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Strain: Hsd Cpb:WU (SPF)
- Source: Harlan-Nederland, AD Horst, The Netherlands
- Age at study initiation: approximately 2 months
- Weight at study initiation: At the study start the variation of individual weights did not exceed ± 10 per cent of the mean for each sex
- Housing: singly in conventional Makrolon® Type IIIH cages
- Diet and water: ad libitum
- Acclimation period: at least 5 days, during this period, rats were also acclimatized to the restraining tubes
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 22 ± 3 °C
- Humidity (%): 40 - 60 %
- Air changes (per hr): approximately 10
- Photoperiod (hrs dark / hrs light): 12/12
Administration / exposure
- Route of administration:
- inhalation: aerosol
- Type of inhalation exposure:
- nose only
- Vehicle:
- other: test article contains 20 % butyl acetate
- Details on inhalation exposure:
- GENERATION OF TEST ATMOSPHERE / CHAMBER DESCRIPTION
- Mode of exposure: Animals were exposed to the aerosolized test article in restrainers made of Plexiglas. The design of the directed-flow inhalation chamber prevents rebreathing of the test atmosphere.
- Generation of atmosphere: Atmospheres were generated under dynamic conditions using a digitally controlled Harvard PHD 2000 infusion pump and a binary nozzle.
- Generation of aerosol: The test substance was nebulized neat using conditioned compressed air (dispersion pressure approximately 600 kPa, 15 L air/min. The targeted concentration was achieved by using constant concentrations of the test article in butyl acetate as vehicle.
- Inhalation chamber: internal volume = about 3.8 L.
- Optimization of respirability: In order to increase the efficiency of the generation of fine particles likely to evaporate and to prevent larger particles from entering the chamber a glass-pre-separator/baffle system was used.
- Conditioning the compressed air: Compressed air was supplied by Boge compressors and was conditioned (i.e. freed from water, dust, and oil) automatically by a VIA compressed air dryer. Adequate control devices were employed to control supply pressure.
- Inhalation chamber equilibrium concentration: The test atmosphere generation conditions provide an adequate number of air exchanges per hour (15 L/min x 60 min/(3.8 L) = 237, continuous generation of test atmosphere). Under such test conditions used chamber equilibrium is attained in less than one minute of exposure(t95 % = 3 x chamber volume/chamber airflow). At each exposure port a minimal air flow rate of 0.75 L/min was provided. The test atmosphere can by no means be diluted by bias-air-flows.
- Exhaust air treatment: The exhaust air was purified via filter systems.
- Temperature and humidity measurements were performed by the computerized Data Acquisition and Control System using HC-S3 sensors (Rotronic). The position of the probe was at the exposure location of rats.
TEST ATMOSPHERE
- The integrity end stability of the aerosol generation and exposure system was measured by using a RAS-2 real-time aerosol photometer (MIE, Bedford, Massachusetts, USA).
- Samples taken from breathing zone: yes
- Brief description of analytical method used: gravimetric analysis of filter samples (filter: Glass-Fibre-Filter, Sartorius, Göttingen, Germany; digital balance).
- Particle size distribution: The particle-size distribution was analyzed using a BERNER critical orifice cascade impactor. Aerosol mass < 3 µm: 75.6 % for 398 mg/m³, 72.4 % for 1337 mg/m³, 69.3 % for 3379 mg/m³, 63.7 % for 3967 mg/m³.
- MMAD (Mass median aerodynamic diameter): The respirability of the aerosol was adequate, i.e. the mass median aerodynamic diameter (MMAD) was smaller than 2.5 µm, the geometric standard deviation (GSD) was 1.7-2.4. - Analytical verification of test atmosphere concentrations:
- yes
- Duration of exposure:
- 4 h
- Concentrations:
- Target Concentrations: 500, 1500, 3000 and 5000 mg/m³
Actual Concentrations (test substance 80 % in butyl acetate): 460, 1546, 3906 and 4586 mg/m³
Gravimetric Concentration (non-volatile fraction of the test article): 398, 1337, 3379, 3967 mg/m³ - No. of animals per sex per dose:
- 5
- Control animals:
- other: yes, concurrent solvent (butyl acetate)
- Details on study design:
- - Duration of observation period following administration: 14 days
- Frequency of observations: The appearance and behavior of each rat were examined carefully several times on the day of exposure and at least once daily thereafter. Weekend assessments were made once a day (morning). Assessments from restraining tubes were made only if unequivocal signs occurred (e.g. spasms, abnormal movements, and severe respiratory signs).
Weighing: Body weights were measured before exposure, on days 1, 3 and 7, and weekly thereafter. Individual weights are also recorded at death, if applicable.
- Necropsy of survivors performed: yes
- Other examinations performed: Rectal temperatures were measured shortly after cessation of exposure using a digital thermometer with a rectal probe for rats. - Statistics:
- For necropsy findings: pair-wise Fisher test after the R x C chi-squared test in accordance with Gad and Weil (Statistics for Toxicologists. Principles and Methods of Toxicology, ed. AW. Hayes, Raven Press, New York, 280, 1982). For statistical evaluation of the body weight gain for each group a one-way ANOVA (vide infra) is used. Data of rectaI temperature measurements are statistically evaluated using the ANOVA procedure (vide infra). For LC50 calculation: method of Rosiello et al. (J. Tox. and Environ. Health, 3, 797-809, 1977) as modified by Pauluhn (Computer-Aided Estimation of the LD50/LC50 BAYER AG Report No. 11835, dated May 18, 1983).
Results and discussion
Effect levelsopen allclose all
- Sex:
- male/female
- Dose descriptor:
- LC50
- Effect level:
- 4 090 other: mg/m³ air (test substance 80 % in butyl acetate)
- Exp. duration:
- 4 h
- Sex:
- male/female
- Dose descriptor:
- LC50
- Effect level:
- 3 537.5 other: mg/m³ air (non-volatile fraction of the test article)
- 95% CL:
- 3 364.9 - 3 718.9
- Exp. duration:
- 4 h
- Mortality:
- Mortality did not occur up to 1546 mg/m³ (actual concentration of the test substance 80 % in butylacetate) whereas at higher concentration rats succumbed up to the second postexposure day.
Animals that died [actual concentration (onset of mortality)]:
- males: 0/5 at 460 mg/m³; 0/5 at 1546 mg/m³; 1/5 at 3906 mg/m³ (1d); 5/5 at 4586 mg/m³ (1d-2d).
- females: 0/5 at 460 mg/m³; 0/5 at 1546 mg/m³; 2/5 at 3906 mg/m³ (2d); 5/5 at 4586 mg/m³ (1d-2d). - Clinical signs:
- other: see field "Other findings"
- Body weight:
- Transient changes in body weights of toxicological significance at 460 mg/m³ (actual concentration) and above.
- Gross pathology:
- Animals sacrificed at the end of the observation period: The macroscopic findings of extrapulmonary organs were essentially indistinguishable amongst exposure and control groups. One rat at 460 mg/m³ (actual concentration of the test substance 80 % in butylacetate) showed light colorized lungs (bloodless).
Animals succumbing within the observation period: Foamy discharge from nose, trachea with foamy content, lung edema and hydrothorax. Lung less collapsed, with dark-red discolorations (marbled) and gray aereas. Bloated gastrointestinal tract. - Other findings:
- Clinical Signs:
Rats exposed at higher concentrations showed evidence of respiratory irritation with mortality patterns typical of an irritation-related acute lung edema. The following signs were observed (exposure day up to second postexposure week): bradypnea, dyspnea, labored breathing patterns, breathing sounds, irregular breathing patterns, motility reduced, limp, high-legged gait, prostration, tremor, squatted posture, piloerection, hair-coat ungroomed, cyanosis, nose: red encrustations, muzzle: red encrustations, nostrils: red encrustations, emaciation, decreased body weights, decreased reflexes, and hypothermia.
Rectal temperature:
Significant changes in body temperature (increased for concentration group 460 mg/m³ - actual concentration, decreased for high concentrations).
Applicant's summary and conclusion
- Executive summary:
An acute inhalation toxicity study of the substance (80 % in butyl acetate) was conducted in rats in accordance with OECD TG 403 and OECD GD 39. Rats were nose-only exposed to the liquid aerosol of the substance at 0 (butyl acetate control), 460, 1546, 3906, and 4586 mg/m³ (actual concentrations of test substance 80 % in butyl acetate). The respirability of the aerosol was adequate, i.e. the mass median aerodynamic diameter (MMAD) was smaller than 2.5 µm and the geometric standard deviation (GSD) 1.7-2.4.
Mortality did not occur up to 1546 mg/m³. Rats exposed at higher concentrations showed evidence of respiratory irritation with mortality patterns typical of an irritation-related acute lung edema. The LC50 determined was 4090 mg/m³ (actual concentration of the substance 80 % in butyl acetate); LC50 for the non-volatile fractions of the test article (based on gravimetric concentrations) = 3537.5 mg/m³.
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