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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
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Endpoint summary
Administrative data
Description of key information
In the table the derived acute aquatic toxicity of Muguesia is presented, which is derived from the experimental results of Pamplefleur. The reliability is because of the read across that is applied, the experimental information from Pamplefleur receive Rel. 1.
Species | Guideline | Result in mg/l | Remarks |
Pseudokirchneriella subcapitata |
OECD TG 201 |
ErC50 72h = 20 ErC10 72h = 11 |
Key study, Reliability K2. Result based on read across substance, recalculation based on MW ratio was not performed as changes would be minor and not critical. |
Daphnia magna |
OECD TG 202 |
EC50 48h = 8.7 |
Key study, Reliability K2. Result based on read across substance, recalculation based on MW ratio was not performed as changes would be minor and not critical. |
The read across justification is presented below
Muguesia and its aquatic toxicity for algae and Daphnia using read across information fromPamplefleur
Introduction and hypothesis for the analogue approach
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 aquatic toxicity information is available.In accordance with Article 13 of REACH,lacking information can be generated by means of applying alternative methods such asin vitrotests, QSARs, grouping and read-across. For assessing the aquatic toxicity of Muguesia the analogue approach is selected because for a closely related analogue reliableaquatic toxicitydata are available.
Hypothesis: Muguesia has the same aquatic toxicity as Pamplefleur because both substances are very similar in structure.
Available experimental information: Pamplefleur is tested inwell performed short term aquatic toxicity test according to OECD TG 201 and 202 in a static test set up design, with a Klimisch 1 which resulted in an ErC50 and EC10 value of 20 and 11 mg/l , respectively, for algae. For Daphnia the EC50 value of 8.7 mg/L was found.
Target chemical and source chemical(s)
Chemical structures of the target chemical and the source chemical are shown in the data matrix. Also physico-chemical properties thought relevant for aquatic toxicity are listed in there.
Purity / Impurities
The purity and impurities of the target chemical do not indicate other aquatic toxic potential and/or the acute/chronic ratio. 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.
In accordance with ECHA guidance 2017 Pamplefleur was selected for read across because the substance is very similar in structure and for this substance aquatic toxicity information is available.
Structural similarities and differences:The target and the source chemicals both have a phenyl-butyl backbone and an alcohol functional group. The differences are that an additional methyl is present on the butyl chain of Pamplefleur, and while Muguesia is a secondary alcohol,Pamplefleur is a primary alcohol. Overall,Pamplefleur has one more carbon than Muguesia, resulting in a slightly higher molecular weight and hence log Kow.
Bioavailability:The source chemical and the target chemical have similar bioavailability based on the similarity in chemical structure and physico-chemical properties. The molecular weight of the target substance (Muguesia) is 164.25, whereas for the source (Pamplefleur) it is 178.75. They are both liquids. They have similar vapour pressures, 1.1 and 0.3 Pa. The water solubility of Muguesia (3300 mg/L) is somewhat higher possibly due to the one methyl group less. This, however did not result in a lower log Kow (3.1) compared to Pamplefleur (log Kow is 3.0). The calculated log Kows did show a higher log Kow for Pamplefleur (ECOSAR) as expected.
Mode of Action and the prediction of the aquatic toxicity information:Muguesia andPamplefleurhave the same Neutral organic Mode of Action (OECD Toolbox and Verhaar rules).
Uncertainty of the prediction: There is no remaining uncertainty in view of the reasoning above. It is not thought necessary to convert the values of Pamplefleur towards Muguesia in view of the minor differences in both molecular weight and log Kow.
In the ECHA guidance (2017, RAAF) terminology it receives a score of 5 (acceptable with high confidence), because the rationale for the selection of the analogues is clearly documented.
Data matrix
The relevant information on physico-chemical properties and ecotoxicological characteristics for the source and target substances are presented in the data matrix below.
Conclusions on this endpoint
When using read across the result derived should be applicable for C&L and/or risk assessment and be presented with adequate and reliable documentation.
The aquatic toxicity information for Muguesia is derived from the analogue Pamplefleur based on similarity in structural similarity, bioavailability and Mode of Action: both are neutral organics.
For Pamplefleur, the ErC50 and EC50 for algae and Daphnia are 20 and 8.7 mg/l, respectively. The long-term ErC10 for algae is 11 mg/l. These values are directly used for read across to Muguesia.
Final conclusion on hazard for Muguesia: The acute algae ErC50 and EC50 for Daphnia are 11 and 8.7 mg/l, respectively: The long term Algae ErC10 is 11 mg/l.
Data matrix of Muguesia aquatic toxicity using read across from Pamplefleur
Common names |
Muguesia |
Pamplefleur |
Chemical structures |
||
Cas no |
56836-93-2 |
92585-24-5 |
Physico-chemical data |
|
|
Molecular weight |
164.25 |
178.75 |
Physical state |
Liquid |
Liquid |
Melting point °C |
<-20 (IFF, 2015) |
27.62 (EPIWIN prediction) |
Boiling point °C |
245.5 (IFF, 2015) |
273.72 (EPIWIN prediction) |
Vapour pressure Pa (measured) |
1.1 (IFF, 2015) |
0.303 (IFF, 1988) |
Water solubility mg/l (measured) |
3300 (IFF, 2015) |
801 (IFF, 1988) |
Log Kow (measured) |
3.1 (IFF, 2015) |
3.01 (IFF, 1988) |
Log Kow (calculated - ECOSAR) |
2.89 |
3.384 |
Acute Aquatic toxicity |
|
|
Fish mg/l |
No experimental data |
LC50: 13 mg/l, (IFF, 1987) |
Daphnia mg/l |
RA to Pamplefleur |
EC50, 48h: 8.7 mg/l, (IFF, 1988) |
Algae mg/l |
RA to Pamplefleur |
EC50, 72h: 20 mg/L (IFF, 2012) |
Long-term Aquatic toxicity |
|
|
Algae mg/l |
Read across to Pamplefleur |
ErC10: 11 mg/L |
Additional information
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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