Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 225-193-0 | CAS number: 4707-47-5
- 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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- July 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- The acute Daphnia EC50 for the ester Veramoss is predicted to be 9.3 mg/L based on the ECOSAR SAR for esters using an estimated log Kow of 3.2, molecular weight of 196.2 and the equation: Log 48h-LC50 (mmol/L) = -0.6305 (log Kow) + 0.7049, the LC50 of ECOSAR being equivalent to the EC50 because predictions are derived from OECD guideline measured data.
Veramoss is in the applicability domain of the ECOSAR prediction because: a) Veramoss is an ester presenting the toxicity solely by its bioavailability (i.e. without fragments that activate this ester); b) its log Kow is 3.2 (=< 5); c) its MW is 196.2 g/mol (< 1000); and; d) the toxicity predicted is below its measured water solubility of 18 mg/L.
In the ECOSAR training set esters are available with log Kows around the Veramoss value. A substance with a somewhat similar predicted log Kow (2.8) is octyl lactate with a predicted EC50 of 18.6 mg/L and a measured of 45 mg/L.
The fit in the applicability domain and the availability of an analogue in the training set results in limited uncertainty of the Veramoss prediction. This shows that the prediction is reliable and a Klimisch 2 can be assigned. In accordance with REACH Annex XI, the validity of the (Q)SAR is documented in a QMR for acute Daphnia toxicity on esters (see attached report). The adequate and reliable documentation, presented below, further supports this prediction. - Qualifier:
- according to guideline
- Guideline:
- other: IR/CSR Guidance R.6 QSARs and grouping of chemicals, May 2008
- Version / remarks:
- In the QMR attached the model specifications are presented. In this QMR is referenced to the Methodology document for the ecological Structure-Activity Relationship model (ECOSAR) Class Programm MS Windows v1.1'. United States Environmental Protection Agency, Office of Pollution Prevention and Toxics, Washington DC (2011).
- Deviations:
- not applicable
- Specific details on test material used for the study:
- SMILES: O=C(OC)c(c(cc(O)c1C)C)c1O
- Test organisms (species):
- Daphnia sp.
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 9.3 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Remarks on result:
- other: QSAR predicted value
- Remarks:
- ECOSAR class: Esters
- Validity criteria fulfilled:
- yes
- Remarks:
- The ECOSAR-Ester equation is valid when using the OECD criteria. In addition, N=40 and R2 is 0.80
- Conclusions:
- ECOSAR v1.11 predicted that the 48h-EC50 of Veramoss to Daphnia is 9.3 mg/L.
- Executive summary:
See section 'Justification of information' or the Endpoint summary.
Reference
ECOSAR v1.11 predicted that the 48h-EC50 of Veramoss to Daphnia is 9.3 mg/L.
Description of key information
The acute Daphnia EC50 for the ester Veramoss is predicted to be 9.3mg/L based on the ECOSAR SAR for esters using an estimated log Kow of 3.2,molecular weight of 196.2 and the equation: Log 48h-LC50 (mmol/L) = -0.6305 (log Kow) + 0.7049
Veramoss is in the applicability domain of the ECOSAR prediction because: a) Veramoss is an ester presenting the toxicity solely by its bioavailability (i.e. without fragments that activate this ester); b) its log Kow is 3.2 (=< 5); c) its MW is 196.2 g/mol (< 1000); and; d) the toxicity predicted is below its measured water solubility of 18 mg/L.
In the ECOSAR training set esters are available with log Kows around the Veramoss value but no structural analogue is found. A substance with a somewhat similar predicted log Kow (2.8) is octyl lactate with a predicted EC50 of 18.6 mg/L and a measured of 45 mg/L.
The fit in the applicability domain and the availability of an analogue in the training set results in limited uncertainty of the Veramoss prediction. This shows that the prediction is reliable and a Klimisch 2 can be assigned. In accordance with REACH Annex XI, the validity of the (Q)SAR is documented in a QMR for acute Daphnia toxicity on esters. The adequate and reliable documentation further supports this prediction.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 9.3 mg/L
Additional information
Experimental study according to OECD TG 202
An experimentally derived Daphnia magna 48h-EC50 of 18 mg/L is also available (study with limitations, Kl. 2), which indicates that the calculated value is conservative.
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.