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EC number: 217-978-1 | CAS number: 2028-63-9
- 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
Endpoint summary
Administrative data
Description of key information
An acute oral LD50 for rats was established to be 45 mg/kg bw.
The LD50 for acute inhalation toxicity in rats was determined to be > 0.53 mg/L and < 2.09 mg/L.
For acute dermal toxicity the LD50 range was established to be > 69 to < 172 mg/kg bw in rabbits.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- September 1957
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- Deviations:
- not specified
- GLP compliance:
- no
- Test type:
- standard acute method
- Limit test:
- no
- Species:
- rat
- Strain:
- other: not specified
- Sex:
- female
- Details on test animals or test system and environmental conditions:
- No further details provided
- Route of administration:
- oral: gavage
- Vehicle:
- water
- Details on oral exposure:
- 50, 10, 2% test substance were administered.
- Doses:
- 10, 20, 40, 50, 63, 79, 100, 126, 500 and 5000 mm3/kg bw (= 0.01 - 5 ml/kg bw)
= 9, 17, 34, 43, 54, 68, 86, 109, 431, 4308 mg/kg bw (Density: 0.8616 g/ml @20°C [CRC, 2008]) - No. of animals per sex per dose:
- For 5000, 500 and 10 mm3/kg one animal was tested. For the other concentrations (20-126 mm3/kg bw) 5 animals were tested. The sex distribution was not specified.
- Control animals:
- no
- Details on study design:
- No further details were provided.
- Statistics:
- No data provided
- Key result
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- ca. 45 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: original value: ca. 52.6 mm3/kg, mg/kg bw calculated based on density at 20 °C = 0.8616 g/mL (CRC 2008)
- Mortality:
- See table below.
- Clinical signs:
- Trembling, apathy, bristled fur, partly lateral position and seizures were observed.
From the animals that died due to treatment, most died within a few hours. Some died one day after administration of the test substance. - Body weight:
- No data was provided.
- Gross pathology:
- No data was provided.
- Interpretation of results:
- Category 2 based on GHS criteria
Reference
mm3/kg bw | mg/kg bw | dead/ total animals |
10 | 9 | 0/1 |
20 | 17 | 0/5 |
40 | 34 | 2/5 |
50 | 43 | 4/5 |
63 | 54 | 4/5 |
79 | 68 | 4/5 |
100 | 86 | 4/5 |
126 | 109 | 5/5 |
500 | 431 | 1/1 |
5000 | 4308 | 1/1 |
LD50 (rat, oral) = 52.6 mm3/kg bw = 45.3 mg/kg bw
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 45 mg/kg bw
- Quality of whole database:
- Similar to guideline study and non GLP study. The lowest LD50 value.
Acute toxicity: via inhalation route
Link to relevant study records
- Endpoint:
- acute toxicity: inhalation
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1988-06-08 to 1988-06-29
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 403 (Acute Inhalation Toxicity)
- GLP compliance:
- no
- Limit test:
- no
- Specific details on test material used for the study:
- - Color: yellow
- Form: liquid
- Storage: at room temperature - Species:
- rat
- Strain:
- Wistar
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Dr. K. Thomae GmbH, 7950 Biberach, Germany
- Age at study initiation: 8 - 9 weeks
- Weight at study initiation: males 260 +/- 8.3 g; females 189 +/- 8.0 g
- Housing: 5 animals per cage; wire cages, type DIII (Company Becker); no bedding
- Diet: ad libitum; KLIBA laboratory diet rat/mouse A 343 10-mm pellets (Klingentalmuehle AG, Kaiseraugst, Switzerland)
- Water: ad libitum; tap water
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 20 - 24
- Humidity (%): 30 - 70
- Air changes (per hr): AC controlled
- Photoperiod (hrs dark / hrs light): 12/12 - Route of administration:
- inhalation: vapour
- Type of inhalation exposure:
- whole body
- Vehicle:
- air
- Details on inhalation exposure:
- GENERATION OF TEST ATMOSPHERE / CHAMBER DESCRIPTION
- Exposure apparatus: Whole-body inhalation system
- Exposure chamber volume: V = 200 L
- Method of holding animals in test chamber: single; in wire cages which were located in a glass-steel inhalation chamber
- Source and rate of air: air was supplied by central AC; Volume of air was 3000 L/h
- Method of conditioning air: central air conditioning
- System of generating particulates/aerosols: continuous infusion pump INFU 362 (INDIGEL/Switzerland) and a glass evaporator with thermostat
- Temperature, humidity, pressure in air chamber: temp: 19-25°C in the exposure apparatus; underpressure was adjusted to 100 L/h in the treatment chamber
TEST ATMOSPHERE
- Brief description of analytical method used: once per hour samples were taken (one per treatment group); the vapour was collected into Propanol-2; Analysis was done with a gas chromatograph (GC HP 584ß A, Hewlett Packard)
- Samples taken from breathing zone: yes
VEHICLE
- Composition of vehicle: air
- Concentration of test material in vehicle: Concentration was determined through substance use and air volume used; and in samples via mass determination and sample volume (mg/L)
CLASS METHOD
- Rationale for the selection of the starting concentration: The concentration 3.33 mg/L was selected on the basis of the information available on the toxicity of the test substance. The remaining concentrations were selected in such a way that it was possible to determine an LC50. - Analytical verification of test atmosphere concentrations:
- yes
- Duration of exposure:
- 4 h
- Concentrations:
- 0.53, 2.09, 3.33 mg/L (nominal)
- No. of animals per sex per dose:
- 5
- Control animals:
- yes
- Details on study design:
- After the exposure period, the surviving animals were observed for 14 days.
The body weight of the animals was checked before the beginning of the test, after 7 days and at the end of the observation period. Clinical findings were generally recorded several times during exposure and at least once each workday during the post-exposure observation period. A check for mortalities was made daily.
At the end of the 14-day observation period, the surviving animals were sacrificed with CO2 and were subjected to a gross-pathological examination like all other animals which had died before. - Statistics:
- Statistical analysis of concentration-effect ratio was done with FORTRAN-programm AKPROZ.
- Key result
- Sex:
- male/female
- Dose descriptor:
- LC50
- Effect level:
- > 0.53 - < 2.09 mg/L air
- Based on:
- test mat.
- Exp. duration:
- 4 h
- Mortality:
- 0.53 mg/L: no deaths; 2.09 and 3.33 mg/L: 10/10
- Clinical signs:
- other: During exposure: irregular, delayed up to lengthy breathing, paleness of ear and extremities, severe apathy, abdominal position, crouch position, ruffled fur, watery nasal secretion, salivation, lachrymation After exposure: lengthy and delayed breathing,
- Body weight:
- Body weight development was recorded for the surviving animals (0.53 mg/L). Females showed no differences to historical controls. Males had a shlight delay during the 2. week of observation.
- Gross pathology:
- Animals that died: acute congestive hyperemia; lung: acute emphysema - moderate (9 x)
Sacrificed animals: organs: nothing abnormal detected - Other findings:
- No other findings were observed.
- Interpretation of results:
- Category 2 based on GHS criteria
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LC50
- Value:
- 530 mg/m³
- Quality of whole database:
- The key study was well-documented and conducted similar to OECD 403.
Acute toxicity: via dermal route
Link to relevant study records
- Endpoint:
- acute toxicity: dermal
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- April 1957
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 402 (Acute Dermal Toxicity)
- Deviations:
- yes
- Remarks:
- lower animal number/group, only 2 doses tested
- Principles of method if other than guideline:
- according to Hill ("The manufacturing chemist's Ass. Program for the labeling of hazardouos chemicals"; Ass. Food. and Drug Off. 18, 142, 1954).
- GLP compliance:
- no
- Test type:
- standard acute method
- Limit test:
- no
- Specific details on test material used for the study:
- The pure substance and a solution of 40% were tested.
- Species:
- rabbit
- Strain:
- Vienna White
- Sex:
- not specified
- Details on test animals or test system and environmental conditions:
- No data provided
- Type of coverage:
- occlusive
- Vehicle:
- other: water and unchanged
- Details on dermal exposure:
- TEST SITE
- Area of exposure: back skin, shaved, 50 cm2
- Type of wrap if used: lamination
REMOVAL OF TEST SUBSTANCE
Test substance was removed by removing the wrap.
TEST MATERIAL
- Amount(s) applied: 200 mm3/kg (pure) and 80mm3/kg (40 %)
- Concentration: pure and 40 % in water
- Constant volume or concentration used: yes
VEHICLE
For 40 % test substance was mixed with water. - Duration of exposure:
- 24 hours
- Doses:
- 80 and 200 mm3/kg
69 and 172 mg/kg bw (calculated based on density at 20 °C = 0.8616 g/ml, CRC 2008) - No. of animals per sex per dose:
- 3 animals per dose but no sex distribution provided
- Control animals:
- no
- Details on study design:
- - Duration of observation period following administration: 4 weeks
- Frequency of observations and weighing: every 1 - 3 days
- Necropsy of survivors performed: no
- Other examinations performed: clinical signs, body weight, histopathology - Statistics:
- No statistical analysis was performed.
- Key result
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- > 69 - < 172 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: original range: > 80 to < 200 mm3/kg bw , mg/kg bw calculated based on density at 20 °C = 0.8616 g/ml
- Mortality:
- All animals treated with the pure test substance (200 mm3/kg bw) died within 8 - 24 hours after application.
All animals treated with the 40 % test substance (80 mm3/kg bw) survived the application. - Clinical signs:
- Animals treated with the pure test substance developed apathy and diarrhea before death.
Animals treated with the 40 % test substance were atonic and apathetic but recovered within 24 h. - Body weight:
- Survivors showed no weight loss.
- Gross pathology:
- Increased fluid accumulation in the thoracic region, liver and kidneys enrichment with blood was detected in animals treated with the pure test substance.
- Interpretation of results:
- Category 2 based on GHS criteria
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- discriminating dose
- Value:
- 69 mg/kg bw
- Quality of whole database:
- Basic information given in a similar to guideline but non GLP study.
Additional information
Acute toxicity: oral
Key study
The key study for oral toxicity was performed in rats (VII/97-98, 1958). Rats orally received the test substance in different concentrations. No mortality was detected in the lower doses (10 and 20 mm3/kg bw = 9 and 17 mg/kg bw). For higher doses most animals died (40 - 5000 mm3/kg bw = 34 - 4308 mg/kg bw) within a few hours or up to one day after administration. The LD50 was established at 45 mg/kg bw respectively 52.6 mm3/kg bw.
Supporting studies
Supporting results were obtained from other oral studies in rats, rabbits and cats (VII/97, 1958; XVII/112, 1967).
Wang and Bai (1998) developed a QSAR model to predict acute oral toxicity in mammals based on structure-activity relationships. The measured LD50 in mouse for the test substance was 30 mg/kg bw. It was concluded that the predicted and observed results mostly matched and the model may be used in general to classify and predict the toxicity of alcohols on rats and mice.
Koleva et al. (2011) developed a QSAR model to predict acute oral toxicity in mammals. The measured logLD50-1 in mouse for the test substance was 0.37 mmol/kg bw. The predicted logLD50-1 was -1.84 mmol/kg bw. It was concluded that the lack of accurate and reliable toxicity data, together with the many different biological and molecular events, make the in sillico prediction of LD50 difficult.
Acute toxicity: inhalation
Key study
The key study (1310753/877089, 1988) for acute inhalation toxicity was conducted similar to OECD 403. Rats were exposed to a vapor containing the test substance and air. The concentrations of the test substance were 0.53, 2.09 and 3.33 mg/L. With 2.09 and 3.33 mg/L animals died on the exposure day. Animals exposed to 0.53 mg/L survived and showed no remaining symptoms starting at day 1 after exposure. The LD50 was determined to be > 0.53 mg/L and < 2.09 mg/L.
Supporting studies
In a supporting studies (inhalation risk test), rats were treated with vapor of the test substance in different concentrations and durations (XVII/112, 1967). From animals exposed for 3 min 1 out of 12 died. Exposures of 10 min up to 3 h led to the death of all animals within few hours. Directly after/during treatment animals developed severe mucosal irritation, staggering, apathy and pain reflexes were lowered. Pathology revealed excessive liquid accumulation in the skin, ascites and atonic intestine. From the surviving animals 2 were found to have developed chronic bronchitis.
In a second supporting study (IRT), rats were exposed to the test substance via inhalation (VII/97-98, 1958). For vapor production pure and 40 % substance were used and the exposure time was 4, 8 and 15 min. Animals developed various clinical symptoms and for higher exposure time most/ all animals died while after the lower exposure time most animals recovered after 2 days. Pathology revealed fluid accumulation in the region of the costal pleura in animals deceased during or following the exposure. The test substance was concluded to be highly toxic due to the observations.
Acute toxicity: dermal
Key study
Rabbits were exposed to the test substance on the back skin (VII/97-98, 1958). An application of 172 mg/kg bw of the pure test substance led to the deaths of the animals within 24 hours. Application of the same amount of 40 % test substance in water (ca. 69 mg/kg bw) did not cause death in the animals, only indisposition at the beginning and animals recovered within 24 h after treatment. It was concluded that the test substance is absorbed rapidly into the skin. The LD50 range was established to be > 69 to < 172 mg/kg bw.
Other routes:
The test substance was also administerd to mice, rabbits and cats by i.p., i.v. or s.c. inhection (XVII/112, 1967, VII97 -98, 1958) demonstrating the high acute toxicity of the substance.
Justification for classification or non-classification
Acute oral toxicity
The available experimental test data are reliable and suitable for classification purposes under Regulation (EC) No 1272/2008. As a result the substance is considered to be classified for acute oral toxicity in Category 2. H300: Fatal if swallowed.
Acute inhalation toxicity
The available experimental test data are reliable and suitable for classification purposes under Regulation (EC) No 1272/2008. As a result the substance is considered to be classified for acute inhalation toxicity in Category 2. H330: Fatal if inhaled.
Acute dermal toxicity
The available experimental test data are reliable and suitable for classification purposes under Regulation (EC) No 1272/2008. As a result the substance is considered to be classified for acute dermal toxicity in Category 2. H310: Fatal in contact with skin.
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