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EC number: 260-398-9 | CAS number: 56836-93-2
- 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
Muguesia, acute oral toxicity > 2000 mg/kg bw based on read across from Vetikon (OECD TG 401).
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- The executive summary of the read across is presented below. The accompanying files are included in the study records. The full read across can be found in the Endpoint summary.
Muguesia has similar acute oral toxicity compared to Vetikon, resulting in a similar LD50 > 2000 mg/kg bw. This is because the substances are sufficiently similar including their degradation products. Structural similarities and differences: The target and the source chemicals have a phenyl-butyl backbone. The differences between the two are: 1) that Muguesia contains a secondary alcohol and Vetikon has a ketone group in the butyl chain; 2) Muguesia has one carbon at the next carbon from the phenyl –ring while Vetikon has two carbons on the same spot.
Toxico-kinetic: Oral absorption: Muguesia and Vetikon have similar absorption characteristics based on the similarity in chemical structure and physico-chemical properties: MW, appearance, VP, WS and log Know. The metabolism processes are similar. Muguesia can be reduced to a ketone and Vetikon can be oxidised to a secondary alcohol during Phase 1 metabolism after which they can be become conjugated and excreted via the urine.
Toxico-dynamics: the substances are expected to be similarly non-reactive based on their functional groups. In view of the alcohol being interchangeable with the ketone group no difference in reactivity is expected.
Similarities in results for toxicological endpoints between the target and the source chemical(s): The non-reactivity is supported with absence of skin irritation and skin sensitization potential of both substances. They are also both negative in the Ames test. Uncertainty of the prediction: The read across is certain based on the reasoning above considering all aspects of acute oral toxicity. - Reason / purpose for cross-reference:
- read-across source
- Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- > 2 000 mg/kg bw
- Based on:
- test mat.
- Interpretation of results:
- other: Not acute orally toxic
- Remarks:
- in accordance with EU CLP (1272/2008 and its amendments)
- Conclusions:
- Under the conditions of this test, an acute oral LD50 of > 2000 mg/kg bw was derived. Therefore the substance does not need to be classified for acute oral toxicity.
- Endpoint:
- acute toxicity: oral
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- The study was conducted between 7 December 1994 and 27 December 1994
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- The present information is used for read across to Muguesia.
- Reason / purpose for cross-reference:
- read-across: supporting information
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- Version / remarks:
- February 24, 1987
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method B.1 (Acute Toxicity (Oral))
- Version / remarks:
- July 31, 1992
- Deviations:
- no
- GLP compliance:
- yes
- Test type:
- standard acute method
- Limit test:
- yes
- Species:
- rat
- Strain:
- other: Hsd/Win: WU
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Fa. Harlan Winkelmann GmbH
- Age at study initiation: no information available
- Weight at study initiation: males: 201-237 g, females: 177-203 g
- Fasting period before study: ~16 h
- Housing: collective housing up to a maximum of 5 animals per cage (Makrolon type III)
- Diet: ad libitum
- Water: ad libitum
- Acclimation period: at least 5 days
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 22 ±3
- Humidity (%): 30-70
- Air changes (per hr): no information available
- Photoperiod (hrs dark / hrs light): 12/12 - Route of administration:
- oral: gavage
- Vehicle:
- unchanged (no vehicle)
- Details on oral exposure:
- MAXIMUM DOSE VOLUME APPLIED: 2.02 mL/kg (for 2000 mg/kg bw dose)
- Doses:
- 2000 mg/kg bw
- No. of animals per sex per dose:
- 5
- Control animals:
- no
- Details on study design:
- - Duration of observation period following administration: 14 days
- Frequency of observations: The animals were observed 10 minutes, 1, 2 and 6 hours after application and thereafter daily
- Necropsy of survivors performed: yes, at the end of the observation period the animals were killed by CO2 asphyxiation, necropsied and subjected to examination for gross pathological changes.
- Body weights: Individual body weights were recorded immediately before treatment (day 1) and then on the 7th and 14th day of the observation period. - Preliminary study:
- None of the animals died in the preliminary study.
- Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- > 2 000 mg/kg bw
- Based on:
- test mat.
- Mortality:
- No animals died during the course of the main study.
- Clinical signs:
- In some animals abnormal clinical signs were observed up to 24 hours after administration of the test substance. These signs included abnormal gait, squatting position, reduced activity, piloerection and decreased respiratory rate.
- Body weight:
- No treatment related changes were recorded in the body weights of the animals during the study period.
- Gross pathology:
- No abnormalities observed.
- Interpretation of results:
- other: not classified for actute oral toxicity
- Remarks:
- Based on CLP criteria (EC 1272/2008 and its amendments)
- Conclusions:
- The acute oral LD50 for Vetikon in male and female rats was determined to be >2000 mg/kg bw. Based on this result, the test material does not need to be classified for acute oral toxicity.
- Executive summary:
In this study, 10 rats (5 males and 5 females) were administered Vetikon at a single dose level of 2000 mg/kg bw by oral gavage. The study was performed according to OECD guideline 401. A preliminary study was conducted with 2 female rats for range finding; in this study there were no deaths recorded. During the main study there were also no mortalities recorded. Clinical signs were observed up to 24 hours after administration. These effects included abnormal gait, squatting position, reduced activity, piloerection and decreased respiratory rate. No body weight or gross pathology abnormalities were detected. The acute oral LD50 for Vetikon in male and female rats was determined to be >2000 mg/kg bw. Based on this result, Vetikon does not need to be classified for acute oral toxicity.
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Quality of whole database:
- The acute oral toxicity result is of sufficient quality and adequate for this dossier.
Additional information
First the summary of the acute oral toxicity study of Vetikon is presented and thereafter the justification of the read across to Muguesia.
Vetikon LD50 study
In this study, 10 rats (5 males and 5 females) were administered Vetikon at a single dose level of 2000 mg/kg bw by oral gavage. The study was performed according to OECD guideline 401. A preliminary study was conducted with 2 female rats for range finding; in this study there were no deaths recorded. During the main study there were also no mortalities recorded.Clinical signs were observed up to 24 hours after administration. These effects included abnormal gait, squatting position, reduced activity, piloerection and decreased respiratory rate. No body weight or gross pathology abnormalities were detected.The acute oral LD50 for Vetikon in male and female rats was determined to be >2000 mg/kg bw.
The acute oral toxicity of Muguesia using read across from Vetikon
Executive summary:
Muguesia has similar acute oral toxicity compared to Vetikon, resulting in a similar LD50 > 2000 mg/kg bw. This is because the substances are sufficiently similar including their degradation products. Structural similarities and differences:The target and the source chemicals have a phenyl-butyl backbone. The differences between the two are: 1) that Muguesia contains a secondary alcohol and Vetikon has a ketone group in the butyl chain; 2) Muguesia has one carbon at the next carbon from the phenyl –ring while Vetikon has two carbons on the same spot.
Toxico-kinetic: Oral absorption:Muguesia and Vetikon have similar absorption characteristics based on the similarity in chemical structure and physico-chemical properties: MW, appearance, VP, WS and log Know. The metabolism processes are similar. Muguesia can be reduced to a ketone and Vetikon can be oxidised to a secondary alcohol during Phase 1 metabolism after which they can be become conjugated and excreted via the urine.
Toxico-dynamics:the substances are expected to be similarly non-reactive based on their functional groups. In view of the alcohol being interchangeable with the ketone group no difference in reactivity is expected.
Similarities in results for toxicological endpoints between the target and the source chemical(s):The non-reactivity is supported with absence of skin irritation and skin sensitization potential of both substances. They are also both negative in the Ames test.Uncertainty of the prediction:The read across is certain based on the reasoning above considering all aspects of acute oral toxicity.
The acute oral toxicity of Muguesia using read across from Vetikon
Introduction
Muguesia consists of an aromatic ring to which a butyl chain is attached, with a methyl group on the second spot and a (secondary) alcohol on the third spot. For this substance no acute oral toxicity data are available.
In accordance with Article 13 of REACH, lacking information should be generated whenever possible by means other than vertebrate animal tests, i. e. applying alternative methods such as in vitro tests, QSARs, grouping and read-across. For assessing the acute oral toxicity of Muguesia the analogue approach is selected because for one closely related analogue reproductive toxicity information is available which can be used for read across.
Hypothesis: Muguesia has similar acute oral toxicity compared to Vetikon, resulting in a similar LD50 of > 2000 mg/kg bw, This is because the substances are sufficiently similar including their degradation products.
Available information: The source chemical Vetikon has been tested in a well conducted acute oral toxicity test (method similar to OECD TG 401 under GLP) up to 2000 mg/kg bw and the test result receives a reliability of 1.
Target chemical and source chemical(s)
Chemical structures of the target and the source chemicals are shown in Appendix 1, including physico-chemical properties and toxicological information, thought relevant for acute oral toxicity, of all substances.
Purity / Impurities
The purity and impurities of the target chemical do not indicate acute oral toxicity potential other than indicated by the parent substance. The impurities are all below < 10%.
Analogue approach justification
According to Annex XI 1.5 read across can be used to replace testing when the similarity can be based on a common backbone and a common functional group. When using read across the result derived should be applicable for C&L and/or risk assessment and it should be presented with adequate and reliable documentation.
Analogue selection:According to ECHA guidance (RAAF, 2017) a clear documentation is needed on the selection of potential source substances. Vetikon being a ketone was considered a better analogue compared to primary alcohols because the secondary alcohol of Muguesia can be converted to a ketone, while a primary alcohol can be converted to an acid which is not possible for a secondary alcohol.
Structural similarities and differences:The target and the source chemicals have a phenyl-butyl backbone. The differences between the two are: 1) that Muguesia contains a secondary alcohol and Vetikon has a ketone group in the butyl chain; 2) Muguesia has one carbon at the next carbon from the phenyl –ring while Vetikon has two carbons on the same spot.
Toxico-kinetic: Oral absorption:Muguesia and Vetikon have similar absorption characteristics based on the similarity in chemical structure and physico-chemical properties: MW, appearance, VP, WS and log Know. The metabolism processes are similar. Muguesia can be reduced to a ketone and Vetikon can be oxidised to a secondary alcohol during Phase 1 metabolism after which they can be become conjugated and excreted via the urine
Toxico-dynamics:the substances are expected to be similarly non-reactive based on their functional groups. In view of the alcohol being interchangeable with the ketone group no difference in reactivity is expected.
Similarities in results for toxicological endpoints between the target and the source chemical(s):The non-reactivity is supported with absence of skin irritation and skin sensitization potential of both substances. They are also both negative in the Ames test.
Uncertainty of the prediction:The read across is certain based on the reasoning above considering all aspects of acute oral toxicity. In accordance with ECHA guidance (2017, RAAF) the quality score assigned can be 5(acceptable with high confidence).
Data matrix
The relevant information on physico-chemical properties and toxicological characteristics are presented in the Data Matrix below.
Conclusions per endpoint for hazard and C&L:
When using read across the result derived should be applicable for C&L and/or risk assessment, cover an exposure period duration comparable or longer than the corresponding method and be presented with adequate and reliable documentation. For Vetikon a well conducted acute oral toxicity test is available (Reliability 1) with a LD50 of > 2000 mg/kg bw which leads to absence of classification for this endpoint, Therefore also Muguesia has an LD50 of > 2000 mg/kg bw.
Final conclusion on hazard and C&L: Muguesia has a LD50 of > 2000 mg/kg bw and therefore does not need to be classified for acute oral toxicity in accordance with the CLP Regulation (1272/2008/EC and its amendment).
Data matrix with information on Muguesia and Vetikon important for the assessment of acute oral toxicity properties.
Common names |
Muguesia |
Vetikon |
CAS number |
56836-93-2 |
7403-42-1 |
Chemical structures |
||
Empirical formula |
C11H16O |
C12H18O |
Molecular weight |
164.25 |
176 |
Physico-chemical properties |
|
|
Physical state |
Liquid |
Liquid |
Vapour pressure (Pa) |
1.1 (IFF, 2015) |
3.7 (EpiWIN) |
Water solubility (mg/l) |
3300 (IFF, 2015) |
179-217 (EpiWIN) |
Log Kow |
2.89 (EPIWIN) ; 3.1 (IFF, 2015) |
2.84 (EPIWIN) |
Human health |
|
|
Acute oral tox in mg/kg bw |
Read across to Vetikon |
LD50 > 2000 mg/kg |
Skin irritation |
Not irritating |
Not Irritating (OECD TG 404, RIFM database) |
Eye irritation |
Irritating |
No information available |
Skin sensitisation |
Not sensitising |
Not sensitising (OECD TG 406; RIFM database) |
Justification for classification or non-classification
Based on the LD50 of > 2000 mg/kg bw Muguesia does not need to be classified for acute oral toxicity with the criteria outlined in EU-CLP Regulation (1272/2008/EC and its amendments).
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.
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