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EC number: 219-330-3 | CAS number: 2416-94-6
- 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
ORAL
LD50 male/female: ca. 3600 mg/kg bw, (rat, BASF-Test, similar to OECD 401, BASF 1967)
DERMAL
LD50 (male/female) > 2000 mg/kg bw (rat, Limit-Test, similar to OECD 402, HRC 1987)
INHALATION
LC50 (male/female) > 0.59 mg/L air (IRT, BASF-Test, similar to OECD 403, BASF 1969)
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:
- 1969 (march 14-19, and may 13-30)
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Acceptable, well-documented study report which meets basic scientific principles; pre-GLP study.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- Deviations:
- yes
- Remarks:
- 20 animals/dose
- Principles of method if other than guideline:
- BASF-Test
- GLP compliance:
- no
- Remarks:
- pre-GLP study
- Test type:
- acute toxic class method
- Limit test:
- no
- Species:
- rat
- Strain:
- other: Gassner
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- day /night rhythmus 12/12h
- Route of administration:
- oral: gavage
- Vehicle:
- other: aqueous Traganth
- Details on oral exposure:
- VEHICLE
- Concentration in vehicle: 2, 16, and 30% (w/v)
- Amount of vehicle (if gavage): no data
- Justification for choice of vehicle: no data
- Lot/batch no. (if required): no data
- Purity: no data
MAXIMUM DOSE VOLUME APPLIED: no data
No further data. - Doses:
- 200, 1600, 3200, 3600, 4000, 5000, 6400 mg/kg bw
- No. of animals per sex per dose:
- 20 animals per dose (10/sex)
- Control animals:
- no
- Details on study design:
- - Duration of observation period following administration: 7 days
- Frequency of observations and weighing: daily (observations); body weight males: 215-250g, female 174-200g
- Necropsy of survivors performed: yes
- Other examinations performed: clinical signs, gross pathology - Statistics:
- no data
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- ca. 3 600 mg/kg bw
- Remarks on result:
- other: after 7 days; 95% CL not given
- Mortality:
- Deaths occurred at all dose levels with exception of the lowest dose (200 mg/kg bw); see table below.
- Clinical signs:
- 6400-1600 mg/kg bw:
Squatting posture or prone/lateral position (immediately after dosing), calm behaviour, accelerated or superficial respiration, piloerection, moderate secretion of the buccal cavity, masticatory movements, extended hind limbs, apathy, and weak tonus were observed in these groups.
At 5000 and 4000 mg/kg bw, narcosis was observed after approximately 15 minutes. At the day after dosing, surviving animals of these two dose groups exhibited intermittent respiration and piloerection.
The remaining animals were normal by days 3-4.
200 mg/kg bw:
No clinical symptoms were observed. - Body weight:
- no data
- Gross pathology:
- Decedents:
hydrothorax (17 rats)
serous adhesions at the snout (14 rats)
plethora and serosa of the pleura (21 rats)
deposits of the test material in the stomach (2 rats)
Survivors: no pathological changes of the organs - Executive summary:
10 male and 10 female rats were administered the test substance orally and were observed for 7 days. The acute oral LD50 was 3600 mg/kg bw for both males and females.
Reference
Mortality rates after 1, 24, and 48 hours and after 7 days
Dose [mg/kg] | conc. [%] | no. of rats | 1 h | 24 h | 48 h | 7 d |
6400 | 30 | 20 | 0/20 | 19/20 | 19/20 | 19/20 |
5000 | 30 | 20 | 0/20 | 20/20 | 20/20 | 20/20 |
4000 | 30 | 20 | 0/20 | 15/20 | 16/20 | 16/20 |
3600 | 30 | 20 | 0/20 | 7/20 | 9/20 | 9/20 |
3200 | 30 | 20 | 0/20 | 6/20 | 6/20 | 6/20 |
1600 | 16 | 20 | 0/20 | 3/20 | 3/20 | 3/20 |
200 | 2 | 20 | 0/20 | 0/20 | 0/20 | 0/20 |
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 3 600 mg/kg bw
Acute toxicity: via inhalation route
Link to relevant study records
- Endpoint:
- acute toxicity: inhalation
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- no data
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Basic data given.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 403 (Acute Inhalation Toxicity)
- Deviations:
- yes
- Remarks:
- Inhalation Risk Test
- Principles of method if other than guideline:
- BASF-Test
- GLP compliance:
- no
- Remarks:
- pre-GLP study
- Test type:
- other: Inhalation Risk Test (IRT)
- Species:
- rat
- Strain:
- other: Gassner
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- no data
- Route of administration:
- inhalation: vapour
- Type of inhalation exposure:
- whole body
- Vehicle:
- other: unchanged (no vehicle)
- Details on inhalation exposure:
- GENERATION OF TEST ATMOSPHERE
A continuous air flow (200 l/h) was conducted through a layer of the unchanged test substance in an exsiccator.
No further data on exposure procedure. - Analytical verification of test atmosphere concentrations:
- yes
- Remarks:
- no further data
- Duration of exposure:
- 8 h
- Concentrations:
- 0.59 mg/l; ca. 106.08 ppm (according to the authors)
- No. of animals per sex per dose:
- 12 rats (males and females; no data on sex ratio)
- Control animals:
- no
- Details on study design:
- - Duration of observation period following administration: 7 days
- Frequency of observations and weighing: no data
- Necropsy of survivors performed: yes
- Other examinations performed: clinical signs, gross pathology - Statistics:
- no data
- Sex:
- male/female
- Dose descriptor:
- discriminating conc.
- Effect level:
- > 0.59 mg/L air
- Exp. duration:
- 8 h
- Remarks on result:
- other: no mortality
- Mortality:
- No deaths occurred.
- Clinical signs:
- other: No clinical signs of toxicity were noted.
- Body weight:
- no data
- Gross pathology:
- No findings were observed.
- Executive summary:
No mortality was observed when 12 rats were exposed for 8 hours to an atmosphere that had been saturated at room temperature with the volatile parts of the compound. Test concentration was 0.59 mg/l (ca. 106.08 ppm).
Reference
No mortality was observed when 12 rats were exposed for 8 hours to an atmosphere that had been saturated at room temperature with the volatile parts of the compound. According to the authors, test concentration was 0.59 mg/l (ca. 106.08 ppm). Formation of dust was not observed.
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- discriminating conc.
- Value:
- 0.006 mg/m³
Acute toxicity: via dermal route
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 2 000 mg/kg bw
Additional information
Oral LD50 combined: ca. 3600 mg/kg bw (95% C.I. not given),
2,3,6-Trimethylphenol is of low toxicity based on the LD50 in rats. In an acute oral toxicity study (BASF, 1969), groups of 20 Gassner rats (no data on sex ratio) were given a single dose of 2,3,6-Trimethylphenol (purity not given) in aqueous Traganth at doses of 200, 1600, 3200, 3600, 4000, 5000, or 6400 mg/kg bw and observed for 7 days. Deaths and clinical symptoms were noted in all dose groups except the 200-mg/kg group. Clinical symptoms were unspecific in nature and included changes in posture, changes in respiration, calm behaviour, narcosis, and piloerection, moderate secretion of the buccal cavity, masticatory movements, extended hind limbs, apathy and weak tonus. The animals were normal by days 3-4. No data are given on changes in body weight. Gross pathology revealed hydrothorax, serous adhesions at the snout, plethora and serosa of the pleura and deposits of the test material in the stomach for decedents, whereas no pathological changes of the organs were detected in survivors.
Dermal LD50 combined > 2000 mg/kg bw,
Trimethylphenol is of low toxicity based on the LD50 in rats.
In an acute dermal toxicity study (HRC, 1987), rats were dermal exposed to Trimethylphenol. The study report is available as a secondary citation and therefore not assignable. Details on the study are lacking; no further data are available at the moment. No deaths and no clinical signs of toxicity were observed.
Inhalation: In an Inhalation Risk Test (BASF, 1969), totally 12 rats (males and females; no data on sex ratio) were exposed by inhalation route to unchanged 2,3,6-Trimethylphenol (purity not given) for 8 hours at a concentration of ca. 0.59 mg/L. The inhalation atmosphere was saturated with the volatile parts of the compound by bubbling a continuous air flow (200 L/h) through a layer of the unchanged test substance in an exsiccator. Animals then were observed for 7 days. No deaths and no clinical signs of toxicity were observed in the Inhalation Risk Test.
It was suggested, that the inhalation hazard test, is not suitable for testing solids, such as 2,3,6-Trimethylphenol (Cas No. 2416-94-6) with no dust formation. However, 2,3,6 -Trimethylphenol is produced and processed under elevated temperature as a melted mass. Thereby, due to the very low vapour pressure at 53.6 °C with 0.724 hPa, no significant exposure through the inhalation route is expected. Additionally, in another test using worst case conditions, where 12 rats were exposed for 8 hours to an atmosphere that had been saturated at 100°C with the volatile parts of the compound at a test concentration of 19.55 mg/l (ca. 3515.09 ppm), no mortality was observed. Therefore, no risk of significant acute inhalation toxicity, even at elevated temperatures, is expected.
Justification for classification or non-classification
Based on the oral LD50in rats, classification of 2,3,6-Trimethylphenol for acute oral toxicity is not warranted in accordance with EU Classification, Labeling and Packaging of Substances and Mixtures (CLP) Regulation No. 1272/2008.
Based on the available data, classification of 2,3,6-Trimethylphenol for acute dermal and inhalation toxicity in accordance with EU Classification, Labeling and Packaging of Substances and Mixtures (CLP) Regulation No. 1272/2008 is not possible.
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