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Diss Factsheets
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EC number: 939-685-4 | CAS number: 1474044-71-7
- 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:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
This read-across is based on the hypothesis that source and target substance have similar environmental fate properties based on similar physicochemical properties, common functional groups and structural similarities.
The target substance MDIPA-Esterquat C18 unsatd. is a UVCB substance consisting of diesters of mainly unsaturated C18 fatty acids with MDIPA as amine backbone.
The source substances DODMAC and DHTDMAC exhibit large structural similarities with the target substance. Details are described below.
Therefore, read-across from the existing bioaccumulation data on the source substance is considered as an appropriate adaptation to the standard information requirements of Annex IX, 9.3 of the REACH Regulation for the target substance, in accordance with the provisions of Annex XI, 1.5 of the REACH Regulation.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
See justification for read-across attached to chapter 13 of this IUCLID file.
3. ANALOGUE APPROACH JUSTIFICATION
See justification for read-across attached to chapter 13 of this IUCLID file.
4. DATA MATRIX
See justification for read-across attached to chapter 13 of this IUCLID file. - Reason / purpose for cross-reference:
- read-across: supporting information
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Type:
- BCF
- Value:
- 13 L/kg
- Basis:
- other: whole body
- Remarks on result:
- other: river water
- Type:
- BCF
- Value:
- 32 L/kg
- Basis:
- other: whole body
- Remarks on result:
- other: laboratory water
- Type:
- BCF
- Value:
- < 5 L/kg
- Basis:
- edible fraction
- Remarks on result:
- other: river water, laboratory water
- Type:
- BCF
- Value:
- 94 L/kg
- Basis:
- non-edible fraction
- Remarks on result:
- other: river water
- Type:
- BCF
- Value:
- 256 L/kg
- Basis:
- non-edible fraction
- Remarks on result:
- other: laboratory water
- Conclusions:
- A BCF of 13 L/kg is used for risk assessment based on the available data.
Reference
Description of key information
Low bioaccumulation potential (BCF = 13 L/kg, read-across from DOCMAC; BCF = 70.8 L/kg, EPIWIN v4.11, BCFBAF v3.01)
Key value for chemical safety assessment
- BCF (aquatic species):
- 13 L/kg ww
Additional information
No experimental data on bioaccumulation are available for MDIPA Esterquat C18 unsatd. According to REACH regulation (Annex XI, 1.5), the study on aquatic bioaccumulation does not need to be conducted for the substance under investigation if data from a structurally closely related material are available. A justification for read-across is attached to Iuclid section 13.
Measured BCF data are available on a structurally closely related substance DODMAC (Dimethyldioctadecylammonium chloride). The target substance MDIPA Esterquat C16-18 and C18 unsatd. differs from DODMAC by the ester linking groups between the alkyl chains (of C18 chain length) and the head group (effectively the dimethylammonium group).
Regarding BCF of the registration substance, the registration substance BCF is expected to be lower than the BCF for DODMAC:
The chemical structure of the target substance MDIPA Esterquat C16-18 and C18 unsatd. includes, in contrast to DODMAC, two polar ester moieties that lower BCF and are biodegradable and/or hydrolysable which also will result in a lower BCF for the registration substance. DODMAC is poorly biodegradable and much more stable than the registration substance. For DODMAC no abiotic degradation is expected, for biotic degradation in water the degradation rate is very low (1.4E-04 day-1) (EU RAR, 2002).
Juvenile fish (Pimephales promelas) were exposed to DODMAC for 24 h under flow-through conditions, followed by a depuration period of 72 h. Without Humic acid, a BCF of 103.8 L/kg could be calculated based on the uptake rate constant (k1) of 1.35 mg/g x h and the depuration rate constant (k2) of 0.013 mg/g x h. With the addition of 1 mg/L and 6.8 mg/L Humic acid, the BCF was 37.5 and 2.8 L/kg, respectively. (Versteeg & Shorter, 1992).
Based on naturally occurring concentrations of dissolved organic carbon (DOC) in the range of 2 to 10 mg/L in rivers and lakes, and 50% of the DOC being fulvic and humic acids (Thurman, 1985 (4)), the BCF obtained with the addition of 1 mg/L Humic acid can be considered to be most relevant.
The measured BCF values for similar substances (DODMAC, DHTDMAC(2)) are 12-32 (BUA Report 191, 1995) and 13-256 (EU RAR, 2002). The conclusion for DODMAC was “bioaccumulation is indicated, but it is assumed that it is low under environmental conditions. A BCF of 13 L/kg is used in the risk assessment…” (EU RAR, 2002).
The calculated BCF value for MDIPA Esterquat C16-18 and C18 unsatd. is 70.8 L/kg (EPIWIN v4.11, BCFBAF v3.01.).
The low bioavailability of the substance (due to rapid and strong sorption to negatively charged surfaces in the aquatic environment) in combination with the rapid (bio)degradation of the bioavailable fraction (mainly due to the hydrolysis of the ester bond), make high bioconcentration factors for the substance even more improbable (Comber et al., 2003 in Hera, 2008).
For MDIPA Esterquat C16-18 and C18 unsatd. a BCF of the same order of magnitude as the BCF of DODMAC (13 L/kg) is expected. The above information is considered as sufficient to support to the conclusion that the bioaccumulation potential of the registration substance is expected to be low (3).
(1) for a fatty acid derivative like the registration substance, bioaccumulation potential increases with increasing chain length of the fatty acid (within certain limits). Compound I has the longest fatty acid chain length among the molecules forming the registration substance.
(2) DHTDMAC: Dihydrogenated Tallow Alkyl Dimethyl Ammonium Chloride
(3) REACH Regulation, Annex XIII: a substance fulfils the bioaccumulation criterion when the bioconcentration factor (BCF) is higher than 2000
(4) Thurman EM, Organic Geochemistry of Natural Waters.1985, Springer
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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