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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
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EC number: - | CAS number: -
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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:
- QSAR prediction
- Guideline:
- other: REACH Guidance on QSAR R.6
- Principles of method if other than guideline:
- The BCFBAF Program is an update and expansion of the previous BCFWIN Program that was part of the EPI Suite version 3.20. The update pertains to estimation of Bioconcentration Factor (BCF). The BCFBAF program estimates BCF of an organic compound using the compound's log octanol-water partition coefficient (Kow). For the update, a more recent and better evaluated database of BCF values was used for both training and validation. The BCF data were re-regressed using the same methodology as in the original BCFWIN program.
The original estimation methodology used by the original BCFWIN program is described in a document prepared for the U.S. Environmental Protection Agency (Meylan et al., 1997). The estimation methodology was then published in journal article (Meylan et al, 1999).
BCFBAF has been expanded to include estimation of the Biotransformation Rate (kM) in fish and estimation of Bioaccumulation Factor (BAF) by the Arnot-Gobas method (Arnot and Gobas, 2003).
BCFBAF requires only a chemical structure to estimate BCF, BAF and kM. Structures are entered into EPISuite through SMILES. - GLP compliance:
- no
- Vehicle:
- no
- Type:
- BCF
- Value:
- 1.121 L/kg
- Basis:
- other: QSAR based on measured logKow, whole body w.w.
- Type:
- BCF
- Value:
- 3.162 L/kg
- Basis:
- other: Worst case regression based, whole body w.w.
- Type:
- BCF
- Value:
- 70.79 L/kg
- Basis:
- other: Worst case regression based on protonated version under environmental conditions, whole body w.w.
- Key result
- Type:
- BCF
- Value:
- 1.086 L/kg
- Basis:
- other: QSAR based on measured log Kow for protonated version under environmental conditions, whole body w.w.
- Validity criteria fulfilled:
- not applicable
- Remarks:
- QSAR calculation
- Conclusions:
- QSAR calculation of the BCF using an estimaed log Kow based on measured water and octanol solubility data.
- Executive summary:
No data is available for characterizing bioaccumulation of Etherdiamine C12-14 acetate. Nevertheless, in order to estimate this parameter a modeled BCF has been generated using BCFBAF model in the software EPIsuite. Using the measured log Kow of 0.5 (pH 7) a BCF of 1.121 L/kg wet-wt including biotransformation and 3.162 L/kg wet-wt when using the regression without biotransformation on the main constituent was predicted. Under environmental conditions the product is protonated and EPIsuite predicts a BCF of 1.086 L/Kg wet-wt including biotransformation and 70.79 L/kg using the regression without biotransformation for the main constituent.
Reference
Description of key information
Since there is a log Kow value measured with the slow stirring method according to OECD 123, this value is used to predict the bioaccumulation potential. Based on this log Kow value of 0.5, the calculated log BCF is 0.05 (unprotonated) and 0.036 (protonated under environmental conditions). These values indicate a low bioaccumulation potential for Etherdiamine C12-14 acetate and it is unlikely that they will accumulate in the food chain.
Key value for chemical safety assessment
- BCF (aquatic species):
- 1.121 L/kg ww
Additional information
No data is available for characterizing bioaccumulation of Etherdiamine C12-14 acetate. Nevertheless, in order to estimate this parameter a modeled BCF has been generated using BCFBAF model in the software EPIsuite. Using the measured log Kow of 0.5 (pH 7) a BCF of 1.121 L/kg wet-wt including biotransformation and 3.162 L/kg wet-wt when using the regression without biotransformation was predicted. Under environmental conditions the product is protonated and EPIsuite predicts a BCF of 1.086 L/Kg wet-wt including biotransformation and 70.79 L/kg using the regression without biotransformation.
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.