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EC number: 305-928-2 | CAS number: 95370-65-3
- 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
QSAR Predictions
Toxicity of the target test material component 1 was predicted by T.E.S.T. using the Consensus method. The target chemical was predicted to have an LD50 of 2742 mg/kg bw.
Toxicity of the target test material component 2 predicted by T.E.S.T. using the Consensus method. The target chemical was predicted to have an LD50 of 2106 mg/kg bw.
The LD50 of both components was therefore predicted to be 2106 mg/kg bw.
Supporting Study (Mihara, 2008)
Under the conditions of the study, the LD50 was estimated to be greater than 3.0 g/kg body weight.
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:
- supporting study
- Study period:
- 12 November 1987 to 21 December 1987
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Study was conducted in accordance with generally accepted scientific principles, possibly with incomplete reporting or methodological deficiences which do not affect the quality of the relevant results. This study has been awarded a reliability score of 4, in accordance with the criteria set out in Klimisch, 1997. The study report has been translated into English; however, the full translation of the study report is not available. Therefore there is simply not enough information regarding how the study was performed to be able to give the study a higher reliability score.
- GLP compliance:
- not specified
- Test type:
- standard acute method
- Limit test:
- no
- Species:
- mouse
- Strain:
- ICR
- Sex:
- male
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Age at study initiation: 4 weeks old
- Weight at study initiation: 23.5 to 27.4 g
- Fasting period before study: 8 hours before administration
- Housing: 5 animals per cage in polycarbonate cages
- Diet: ad libitum to solid rodent feed
- Water: ad libitum
- Acclimation period: 9 days
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 23 ± 3 °C
- Humidity (%): 55 ± 15%
- Air changes (per hr): 12 times per hour
- Photoperiod (hrs dark / hrs light): 12 hours of lighting (from 7 a.m. to 7 p.m.)
- Route of administration:
- oral: unspecified
- Vehicle:
- olive oil
- Details on oral exposure:
- VEHICLE
- Concentration in vehicle: 2.5 and 7.5 %
- Amount of vehicle (if gavage): 0.4 mL/10g - Doses:
- 1.0 g/kg and 3.0 g/kg
- No. of animals per sex per dose:
- 10 mice.
- Control animals:
- no
- Details on study design:
- - Frequency of observations and weighing: The number of deaths was observed once daily in the morning. Acute toxicity symptoms were observed until 2 hours after administration (Day 1). Clinical signs of all surviving animals were observed on Day 1 before treatment, and thereafter once daily in the morning (from Day 2 to Day 7). Animal bodyweights were measured on Days 1, 2 and 7.
- Sex:
- male
- Dose descriptor:
- LD50
- Effect level:
- > 3 000 mg/kg bw
- Based on:
- test mat.
- Mortality:
- No deaths occurred during the study period.
- Clinical signs:
- Decrease in locomotor activity, irregular respiration, eyelid closure, smug of the genital region, crouching position, prone position, slow respiration, unkept fur, and gasping were observed during the observation period as acute toxicity symptoms (until 2 hours after administration). These signs disappeared on the next day. There were no other abnormal clinical signs during the study period.
- Body weight:
- One animal of 1.0 g/kg test material treatment showed a loss of body weight at day 2. Other animals showed body weight gain during the study period.
- Gross pathology:
- All animals showed no abnormal findings at necropsy.
- Interpretation of results:
- other: Not classified according to EU criteria.
- Conclusions:
- Under the conditions of the study, the LD50 was estimated to be greater than 3.0 g/kg body weight.
- Executive summary:
This study has been awarded a reliability score of 4, in accordance with the criteria set out in Klimisch, 1997. The study report has been translated into English; however, the full translation of the study report is not available. Therefore there is simply not enough information regarding how the study was performed to be able to give the study a higher reliability score.
The test material was administered once to mice at the dosage of 1.0 and 3.0 g/kg body weight. No abnormalities were observed after administration, and under the conditions of the study, the LD50 was estimated to be greater than 3.0 g/kg body weight.
- Endpoint:
- acute toxicity: oral
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Justification for type of information:
- T.E.S.T. (Toxicity Estimation Software Tool, US EPA 2015) estimates the toxicity values and physical properties of organic chemicals based on the molecular structure of the organic chemical entered by the user. It allows the estimation of toxicity values using several different advanced Quantitative Structure Activity Relationship (QSAR) methodologies (Martin et al. 2008):
- Hierarchical method: The toxicity for a given query compound is estimated using the weighted average of the predictions from several different models. The different models are obtained by using Ward’s method to divide the training set into a series of structurally similar clusters. A genetic algorithm based technique is used to generate models for each cluster.
- FDA method: The prediction for each test chemical is made using a new model that is fitted to the chemicals that are most similar to the test compound.
- Single model method: Predictions are made using a multi-linear regression model that is fitted to the training set (using molecular descriptors as independent variables) using a genetic algorithm based approach.
- Group contribution method: Predictions are made using a multi-linear regression model that is fitted to the training set (using molecular fragment counts as independent variables).
- Nearest neighbour method: The predicted toxicity is estimated by taking an average of the 3 chemicals in the training set that are most similar to the test chemical.
- Consensus method: The predicted toxicity is estimated by taking an average of the predicted toxicities from the above QSAR methods (provided the predictions are within the respective applicability domains) and was shown to achieve the best prediction results during external validation. - Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6. May/July 2006
- Deviations:
- not specified
- Principles of method if other than guideline:
- T.E.S.T. (Toxicity Estimation Software Tool, US EPA 2015) estimates the toxicity values and physical properties of organic chemicals based on the molecular structure of the organic chemical entered by the user. It allows the estimation of toxicity values using several different advanced Quantitative Structure Activity Relationship (QSAR) methodologies.
- GLP compliance:
- no
- Remarks:
- As no laboratory work took place, compliance with GLP is not required.
- Specific details on test material used for the study:
- Component 1
- Species:
- rat
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- ca. 2 742 mg/kg bw
- Conclusions:
- Toxicity of the target chemical was predicted by T.E.S.T. using the Consensus method. The target chemical was predicted to have an LD50 of 2742 mg/kg bw.
- Executive summary:
The potential of the test material to cause acute oral toxicity to rats was modelled using the Consensus method in T.E.S.T.
Toxicity of the target chemical was predicted by T.E.S.T. using the Consensus method. The target chemical was predicted to have an LD50 of 2742 mg/kg bw.
- Endpoint:
- acute toxicity: oral
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Justification for type of information:
- T.E.S.T. (Toxicity Estimation Software Tool, US EPA 2015) estimates the toxicity values and physical properties of organic chemicals based on the molecular structure of the organic chemical entered by the user. It allows the estimation of toxicity values using several different advanced Quantitative Structure Activity Relationship (QSAR) methodologies (Martin et al. 2008):
- Hierarchical method: The toxicity for a given query compound is estimated using the weighted average of the predictions from several different models. The different models are obtained by using Ward’s method to divide the training set into a series of structurally similar clusters. A genetic algorithm based technique is used to generate models for each cluster.
- FDA method: The prediction for each test chemical is made using a new model that is fitted to the chemicals that are most similar to the test compound.
- Single model method: Predictions are made using a multi-linear regression model that is fitted to the training set (using molecular descriptors as independent variables) using a genetic algorithm based approach.
- Group contribution method: Predictions are made using a multi-linear regression model that is fitted to the training set (using molecular fragment counts as independent variables).
- Nearest neighbour method: The predicted toxicity is estimated by taking an average of the 3 chemicals in the training set that are most similar to the test chemical.
- Consensus method: The predicted toxicity is estimated by taking an average of the predicted toxicities from the above QSAR methods (provided the predictions are within the respective applicability domains) and was shown to achieve the best prediction results during external validation. - Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6. May/July 2006
- Deviations:
- not specified
- Principles of method if other than guideline:
- T.E.S.T. (Toxicity Estimation Software Tool, US EPA 2015) estimates the toxicity values and physical properties of organic chemicals based on the molecular structure of the organic chemical entered by the user. It allows the estimation of toxicity values using several different advanced Quantitative Structure Activity Relationship (QSAR) methodologies.
- GLP compliance:
- no
- Remarks:
- As no laboratory work took place, compliance with GLP is not required.
- Specific details on test material used for the study:
- Component 2
- Species:
- rat
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- ca. 2 106 mg/kg bw
- Conclusions:
- Toxicity of the target chemical was predicted by T.E.S.T. using the Consensus method. The target chemical was predicted to have an LD50 of 2106 mg/kg bw.
- Executive summary:
The potential of the test material to cause acute oral toxicity to rats was modelled using the Consensus method in T.E.S.T.
Toxicity of the target chemical was predicted by T.E.S.T. using the Consensus method. The target chemical was predicted to have an LD50 of 2106 mg/kg bw.
Referenceopen allclose all
Table 1: Clinical signs of individual animals
DOSE (mg/kg) |
SEX |
Animal No. |
Day |
|||||||
1 |
2 |
3 |
4 |
5 |
6 |
7 |
||||
a) |
b) |
- |
- |
- |
- |
- |
- |
|||
1.0 |
Male |
1 |
- |
A, E, F, G, H |
- |
- |
- |
- |
- |
- |
2 |
- |
A, D, E |
- |
- |
- |
- |
- |
- |
||
3 |
- |
A, D, E |
- |
- |
- |
- |
- |
- |
||
4 |
- |
A, B, C, E, F |
- |
- |
- |
- |
- |
- |
||
5 |
- |
A, E |
- |
- |
- |
- |
- |
- |
||
3.0 |
Male |
1 |
- |
A, D, E |
- |
- |
- |
- |
- |
- |
2 |
- |
A, D, E |
- |
- |
- |
- |
- |
- |
||
3 |
- |
A, D, E |
- |
- |
- |
- |
- |
- |
||
4 |
- |
A, I, D, E |
- |
- |
- |
- |
- |
- |
||
5 |
- |
A, D, E |
- |
- |
- |
- |
- |
- |
-: No abnormal findings, A: Decrease of locomotor activity, B: Irregular respiration, C: Eyelid closure, D: Smug of the genital region, E: Crouching position, F: Prone position, G: Slow respiration, H: Unkept fur, I: Gasping
a) Before administration
b) Observation period for acute toxicity symptoms (until 2 hours after administration)
Toxicity of the target chemical (LD50 2742 mg/kg) is predicted by QSAR. The current prediction has no applicability domain.
Toxicity of the target chemical (LD50 2106 mg/kg) is predicted by QSAR. The current prediction has no applicability domain.
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 2 106 mg/kg bw
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
QSAR Predictions
The potential of the test material to cause acute oral toxicity to rats was modelled using the Consensus method in T.E.S.T. Toxicity of component 1 of the target chemical was predicted to have an LD50 of 2742 mg/kg bw.
The potential of the test material to cause acute oral toxicity to rats was modelled using the Consensus method in T.E.S.T. Toxicity of component 2 of the target chemical was predicted to have an LD50 of 2106 mg/kg bw.
The overall LD50 of the test material was predicted to be 2106 mg/kg bw.
Supporting Study (Mihara, 2008)
This study has been awarded a reliability score of 4, in accordance with the criteria set out in Klimisch, 1997. The study report has been translated into English; however, the full translation of the study report is not available. Therefore there is simply not enough information regarding how the study was performed to be able to give the study a higher reliability score.
The test material was administered once to mice at the dosage of 1.0 and 3.0 g/kg body weight. No abnormalities were observed after administration, and under the conditions of the study, the LD50 was estimated to be greater than 3.0 g/kg body weight.
Justification for classification or non-classification
In accordance with the criteria for classification as defined in Annex I, Regulation (EC) No 1272/2008, the substance does not require classification with respect to acute toxicity via the oral route.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.

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