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Diss Factsheets
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EC number: 939-489-9 | 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
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Endpoint summary
Administrative data
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
- Absorption rate - oral (%):
- 50
- Absorption rate - dermal (%):
- 50
- Absorption rate - inhalation (%):
- 100
Additional information
Assessment of the Toxicokinetic Behaviour
The registered substance is a reaction product of 2,4-dinitrotoluene and 2,6-dinitrotoluene and hydrogen (common name: diaminomethylcyclohexane, MDACH, or MCDA, respectively) consisting of the two isomers 4 -methylcyclohexane-1,3-diamine (CAS 13897-55-7; molecular weight approx. 128 g/mol) and 2-methylcyclohexane-1,3-diamine (CAS 13897-56-8; molecular weight approx. 128 g/mol). Both of which have an estimated log Kow less or equal to 3. It is a clear, colourless liquid miscible with water at room temperature (T = 23°C) in any ratio. Its vapour pressure is estimated to be approx. 0.18 hPa at 20 °C.
The registered substance was tested in several toxicity studies, which were conducted on the one hand using 4-methylcyclohexane-1,3-diamine (CAS 13897-55-7) which is the main isomer of the registered substance (up to 90%) and on the other hand the reaction product of 2,4-dinitrotoluene and 2,6-dinitrotoluene and hydrogen was tested as such (for details see read across justification, IUCLID chapter 13).
Absorption
An acute oral LD50 of approx. 1276 mg/kg bw (test substance:4-methylcyclohexane-1,3-diamine (CAS 13897-55-7)) was found in rats (Smyth et al. 1969). Additionally, signs of parental systemic toxicity were observed in rats in an oral combined repeated dose toxicity study with the reproduction / developmental toxicity screening test (OECD TG 422, BASF SE, 2011) from 100 mg/kg bw, while no signs of toxicity were found in a subchronic toxicity study (OECD TG 408, BASF SE, 2017) at the same dose level (test substance: reaction product of 2,4-dinitrotoluene and 2,6-dinitrotoluene and hydrogen).
It is therefore assumed that the registered substance or its possible metabolites become systemically available after absorption along the gastro intestinal tract.
The registered substance is corrosive to the rabbit skin (BASF SE, 2011), and, probably as consequence of the induced local damage, may induce mortality after single skin contact (LD50 = 452.5 mg/kg bw; test substance: 4-methylcyclohexane-1,3-diamine (CAS 13897-55-7); Smyth et al. 1969). When the salt of the registered substance was evaluated for acute dermal toxicity according to the OECD TG 402, no mortality nor clinical signs of toxicity were observed up to the dose level 3420 mg/kg bw.
It is unclear if the lack of general toxicity is due to low or no dermal absorption or due to the low toxicity of the test substance salt. It is however anticipated that the test substance, because of its corrosivity potential, may be able to penetrate the dermal barrier, and, therefore, become systemically bioavailable.
No mortality occurred in an inhalation risk test (test substance: 4-methylcyclohexane-1,3-diamine (CAS 13897-55-7)), where the test animals (rats) were exposed to an atmosphere saturated with vapours of the test substance (Smyth et al. 1969; with limited documentation).
However, as conjectured above, a systemic availability of the registered substance after inhalation exposure cannot be ruled out because of its corrosive potential.
Distribution
At least the accessory sex glands (male animals) appeared to be possible target organs in the combined repeated dose toxicity study with the reproduction / developmental toxicity screening test (test substance: reaction product of 2,4-dinitrotoluene and 2,6-dinitrotoluene and hydrogen), although their reproduction performances were not affected (BASF SE, 2011).
Therefore, the substance was additionally tested to assess an androgenic and/or antiandrogenic activity by using the Yeast Androgen Screening Assay (YAS-Assay). The reaction product of 2,4-dinitrotoluene and 2,6-dinitrotoluene and hydrogen did neither exert androgenic effects nor antiandrogenic effects in this test (BASF SE, 2012). Moreover, such effects on the accessory sex glands were not observed in an subchronic repeated dose toxicity study (OECD TG 408) up to the highest dosage tested (100 mg/kg bw) although special attentionwas given to the reproductive organs of male and female animals.
In view of the log Kow value, a general accumulation of the registered substance in adipose tissue may normally be unlikely with repeated intermittent exposure patterns normally encountered in the workplace but may accumulate if exposures are continuous.
Metabolism
Using the OECD toolbox vs.2.0, the liver metabolism simulator provided approx. 10 potential simulated metabolites for CAS 13897-55-7, and approx. 5 for CAS 13897-56-8, as well as approx. 5 and 10 simulated skin metabolites for CAS 13897-55-7 and CAS 13897-56-8, respectively.
The negative mutagenicity tests in the presence and absence of a metabolic activating system (Ames, HPRT, CA) further suggest that none of the possible metabolites (or the parent substance) is likely to induce genetic toxicity. No further are data available.
Excretion
No data available.
Based on the molecular weights of the main constituents and the water solubility, it is conjectured that the registered substance would probably primarily undergo a renal elimination.
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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