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Diss Factsheets
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EC number: 217-168-8 | CAS number: 1761-71-3
- 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
Additional information
The Henry's Law Constant for PACM (4,4'-methylenebis(cyclohexylamine)) was estimated by the bond estimation method of the HENRYWIN Program (v3.20) of EPI Suite v4.10 to be 4.6E-04 Pa m³/mol at 25 °C, which is equal to 4.54E-09 atm m³/mol. A value calculated by the ratio of vapour pressure to water solubility results in a supporting value (9.39E-04 Pa m³/mol at 20 °C) that is within a factor of two of the key value, a low level of variability for this parameter. At environmental conditions (pH 5 to 9) the molecule is expected to be ionised, therefore a pH-corrected HLC was calculated according to the REACH Guidance document (2008). The resulting Henry's Law Constant was 3.65E-8 Pa m³/mol at pH 7 (range pH 5 to 9: 3.65E-10 to 3.63E-06 Pa m³/mol; BASF, 2012). Based on the Henry's Law Constant for the charged molecule, the substance will not evaporate from the water surface into the atmosphere.
The Koc value for PACM was estimated by the Molecular Connectivity Index (MCI) module and the log KOW module. The MCI method is the more reliable of the two calculation methods in the KOCWIN v2.00 model. The MCI method resulted in a Koc of 446 (log Koc = 2.65), while the log KOW method gave a slightly lower Koc of 103 (log Koc = 2.01). Both calculated values refer to the uncharged molecule. However, at environmentally relevant conditions (pH 5 to 8), PACM will be present in ionised form (pKa2 = 11.1 at 20 °C; Baltussen, 2010). Therefore, the Koc was also calculated for the environmentally relevant pH range according to Franco and Trapp (2008, 2009, 2010). This resulted in a log Koc of 4.25 at pH 5 to 8 (Koc = 17958 at pH 5 to Koc = 17781 at pH 8).
According to a Mackay Level I (static equilibrium) fugacity calculation, the main target compartments will be the hydrosphere (98.3 %), followed by sediment and soil (0.85 % each) and air (0.032 %). Assuming equal emissions to the air, water and soil compartments, a Mackay Level III (dynamic steady-state) fugacity calculation predicted a distribution of 80.5 %, 19.1 %, 0.3 % and 0.06 % to the soil, water, sediment and air compartments, respectively. The distribution model applies to the uncharged molecule and does not take into consideration that PACM will be ionised at environmentally relevant pH.
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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