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Diss Factsheets
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EC number: 224-583-8 | CAS number: 4419-11-8
- 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
Link to relevant study record(s)
- Endpoint:
- basic toxicokinetics, other
- Type of information:
- other: Assessment based on available physico-chemical data
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Assessment based on available physico-chemical data
- Objective of study:
- absorption
- distribution
- excretion
- metabolism
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Assessment based on available physico-chemical data
- GLP compliance:
- no
- Specific details on test material used for the study:
- no actual test material used
- Type:
- absorption
- Results:
- see "any other information on results incl. tables" section
- Type:
- distribution
- Results:
- see "any other information on results incl. tables" section
- Type:
- metabolism
- Results:
- see "any other information on results incl. tables" section
- Type:
- excretion
- Results:
- see "any other information on results incl. tables" section
- Conclusions:
- An assessment based on available physico-chemical data is performed.
The relevant results are taken for risk assessment purposes:
dermal absorption: 100%
inhalative absorption: 10%
oral absorption: 100 %
Bioaccumulation: unlikely
Reference
Data from in vivo studies, which were designed to identify the toxicokinetic properties of the substance, are not available.
This means, that absorption, distribution, metabolism and excretion (ADME) can only be derived from available physical-chemical data.
To estimate the toxicokinetic properties of the substance the following information was considered (cited from IUCLID6 data file, section 4):
Parameter |
Value used for CSR |
Molecular weight |
248.4 g/mol |
Melting point |
52.1 °C |
Boiling point |
Decomposition/Self-Reactive |
Density |
0.9691 |
Vapour pressure |
0.812 Pa (25 °C), calculated |
Partition coefficient n-octanol/water (log POW) |
3.37 (25 °C) |
Calculated log POW(EPIWin) |
|
Water solubility |
9.37 mg/L (20 °C) |
pH |
Not relevant |
pKa |
Not relevant |
Particle size |
MMAD 157 µm |
Absorption:
Based on above data the substance may be absorbed through the skin in relevant amounts (molecular weight < 500 g/Mol, -1 < log POW< 4, see EUROPEAN COMMISSION HEALTH & CONSUMER PROTECTION DIRETORATE-GENERAL: Guidance Document on Dermal Absorption Sanco/222/2000 rev. 7 19 March 2004).
The log POWis within the thresholds for dermal absorption and the molecular weight indicates a “small molecule”. Therefore relevant amounts of the substance may to be absorbed via the skin.
For exposure assessments a default value of 100 % of absorption after dermal exposure may be appropriate.
The uptake after direct inhalation of the substance may be of medium relevance due to the mean diameter of particles, which exceeds the maximum inhalable particle diameter of 10 µm by more than 5 times. Uptake by inhalation after evaporation is unlikely. The substance is a solid at room temperature and decomposes upon heating.
For exposure assessments a default value of 10 % of absorption via inhalation may be appropriate.
The absorption after oral ingestion cannot be calculated due to lack of data; by default absorption of 100 % may be appropriate, until specific data will be available, although such a high absorption is rather unlikely.
Distribution:
The substance is lipophilic and Protein binding is of relevance, resulting in a high distribution volume. Crossing of membrane barriers like the Blood/Brain barrier seems unlikely.
The LogPow indicates a low potential for bioaccumulation. Giving the low half life of the substance, the potential is rated as not present.
Metabolism and Excretion:
The half life of the substance lies within hours depending on the pH value and the temperature in aqueous medium. Without metabolic activity, the substance undergoes decomposition to N2and two radical molecules of 1‐cyano‐1,3‐dimethylbutyl.
The Azogroup in the unchanged molecule can be reduced by Phase-I-reductases like Cytochromes P450 leading to Aminogroups in the resulting fragments.
Targets for Phase-II-conjugation Enzymes can be the formed Aminogroups in metabolites. These groups are targets for Glutathione, Glucuronosyl-transferases and in the case of Amino-groups sulfotransferases and N-Acetyltransferases as well.
All of these reactions will increase the water solubility of the substance and improve urinary excretion, which may be the most relevant way of excretion for this substance.
Another relevant pathway for excretion may be by feces, especially for the fraction, which has not been absorbed in the gastrointestinal tract after oral uptake.
Excretion by exhalation does not seem to be relevant.
For the decomposition products similar excretion seems feasible. In the case of N2the major excretion way will be by exhalation.
Description of key information
The assessment is based on the available physico-chemical data.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
- Absorption rate - oral (%):
- 100
- Absorption rate - dermal (%):
- 100
- Absorption rate - inhalation (%):
- 10
Additional information
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.