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EC number: 282-823-7 | CAS number: 84434-23-1
- 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
The acute oral toxicity of the test material in rats was determined to be 2.6 mL/kg bw (95 % CI 2.43-2.9) (equivalent to approximately 2770 mg/kg bw when assuming a relative density of 0.96) in a study performed to a method similar to OECD 401.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- 1981
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- A valid study is available for the analogue substance 3-(4-tert-butylphenyl)propionaldehyde. The study was performed in line with good scientific principles in basic compliance with agreed protocols, with no or minor deviations from standard testing guidelines. The read-across is considered to be suitable based on the structural and “mechanistic action” similarities between the target substance (3-(4-tert-butylphenyl)acrylaldehyde) and source substance (3-(4-tert-butylphenyl)propionaldehyde) and their similar physico-chemical properties.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- Principles of method if other than guideline:
- The test substance was administered to male and female rats by gavage in single doses of 2.4, 2.9, 3.2 or 4.2 mL per kg bw. After treatment the rats received stock diet and tap water ad libitum. They were observed for signs of intoxication during a 14 day period, after which autopsies were carried out on survivors and the LD50 was calculated.
- GLP compliance:
- no
- Test type:
- standard acute method
- Limit test:
- no
- Species:
- rat
- Strain:
- Wistar
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Central Institute for the Breeding of Laboratory Animals TNO, Zeist, Netherlands.
- Age at study initiation: Young adult, age not specified.
- Weight at study initiation: Males 200 to 260 g, females from 100 to 134 g.
- Fasting period before study: Overnight
- Diet (e.g. ad libitum): Stock diet available ad libitum
- Water (e.g. ad libitum): Ad libitum
- Housing: In groups of 5 in stainless-steel cages with grid-bottom and front.
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 23 ± 1 °C
- Air changes (per hr): Well ventilated, but air changes not specified. - Route of administration:
- oral: gavage
- Vehicle:
- unchanged (no vehicle)
- Doses:
- 2.4, 2.9, 3.5 or 4.2 mL/kg bw
- No. of animals per sex per dose:
- Five/sex/dose
- Control animals:
- no
- Details on study design:
- - Duration of observation period following administration: 14 days
- Other examinations performed: Observed for signs of intoxication. - Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 2.66 mL/kg bw
- Based on:
- test mat.
- 95% CL:
- 2.43 - 2.91
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- ca. 2 770 mg/kg bw
- Based on:
- test mat.
- 95% CL:
- ca. 2 531 - 3 020
- Remarks on result:
- other: assuming a relative density of 0.96
- Mortality:
- Deaths occurred between 7 h and 3 days after dosing. Then the survivors recovered gradually and looked quite healthy at the end of the observation period.
- Clinical signs:
- other: Within a few hours after treatment the rats showed sedation and signs of ataxia. Later, signs of emaciation, encrustations around eyes and nostrils and coma were frequently observed.
- Gross pathology:
- Macroscopic examination of the survivors did not reveal any treatment-related gross alterations.
- Interpretation of results:
- not classified
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The test substance was assessed for acute oral toxicity in rats using a single dose administered by oral gavage. The LD50 was calculated to be 2.66 mL/kg bw with 95 % confidence limits of 2.43 and 2.9 mL/kg bw (approximately 2770 mg/kg bw assuming a relative density of 0.96).
- Executive summary:
The test substance was administered to male and female rats by gavage in single doses of 2.4, 2.9, 3.2 or 4.2 mL per kg bw. After treatment the rats received stock diet and tap water ad libitum. They were observed for signs of intoxication during a 14 day period, after which autopsies were carried out on survivors and the LD50 was calculated. The LD50 was calculated to be 2.66 mL/kg bw with 95 % confidence limits of 2.43 and 2.9 mL/kg bw (approximately 2770 mg/kg bw assuming a relative density of 0.96).
Reference
Table 1: Doses applied and mortality figures
Dose (mL/kg) |
Mortality |
||
Number |
Percent |
||
Males |
Females |
||
2.4 |
2/5 |
1/5 |
30 |
2.9 |
3/5 |
4/5 |
70 |
3.5 |
4/5 |
5/5 |
90 |
4.2 |
5/5 |
5/5 |
100 |
ANALOGUE APPROACH JUSTIFICATION:
- See attached “Justification for read-across” document for full details.
- In summary, important considerations for the use of read-across for acute oral toxicity are: i) 3-(4-tert-butylphenyl)acrylaldehyde (the target chemical) has similar predicted physico-chemical properties to those predicted and experimentally determined for 3-(4-tert-butylphenyl)propionaldehyde (the source substance), ii) there are structural similarities between the two chemicals and iii) the OECD QSAR Toolbox indicates that the two substances are expected to have similar interactions with biological receptors.
The information reported in this summary is included to demonstrate comparability between the source (3-(4-tert-butylphenyl)propionaldehyde) and target (3-(4-tert-butylphenyl)acrylaldehyde) substance.
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Quality of whole database:
- One study available with a reliability score of 2 in accordance with the principles of assessing data quality as defined by Klimisch et al (1997). The study was assigned a reliability score of 2 as it was performed to a method which was in basic compliance with OECD 401 and was performed an analogue of the registered substance. The quality of the database is therefore high.
Acute toxicity: via inhalation route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Acute toxicity: via dermal route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
The test material was administered to male and female rats by gavage in single doses of 2.4, 2.9, 3.2 or 4.2 mL per kg bw. After treatment the rats received stock diet and tap water ad libitum. They were observed for signs of intoxication during a 14 day period, after which autopsies were carried out on survivors and the LD50 was calculated. The LD50 was calculated to be 2.66 mL/kg bw with 95% confidence limits of 2.43 and 2.9 mL/kg bw (approximately 2770 mg/kg bw assuming a relative density of 0.96).
The study was performed to method equivalent to a recognised standardised guideline, the study was assigned a reliability score of 2 in line with the principles defined in Klimisch et al (1997) as the study was performed on a structural analogue of the substance. Due to the structural and mechanistic similarities between the two substances, it was considered appropriate to use data from the source substance to represent the target substance.
Justification for selection of acute toxicity – oral endpoint
A single valid study was available on a suitable structural analogue. The study was performed to a method equivalent to a standardised guideline. Due to the structural and mechanistic similarities between the target and source substance, it was considered appropriate to use a read-across approach to address the acute oral toxicity endpoint.
Justification for classification or non-classification
On the basis that the results from the test material used in the acute oral toxicity study in rats, 3-(4-tert-butylphenyl)propionaldehyde, are being used to the support the registration of 3-(4-tert-butylphenyl)acrylaldehyde using a read-across approach, 3-(4-tert-butylphenyl)acrylaldehyde should therefore also be considered as not acutely toxic by the oral route. In accordance with Regulation 1272/2008 and Directive 67/548/EEC, the substance does not meet the classification criteria for acute toxicity by the oral route.
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