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EC number: 921-910-2 | 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
There are no experimental studies available in which the toxicokinetic behavior of 3-Isocyanatomethyl-3,5,5 -trimethylcyclohexyl isocyanate, oligomers, reaction products with 1,2 -propanediol, monocarbamate has been assessed.
In accordance with Annex VIII, Column 1, Item 8.8.1., of Regulation (EC) 1907/2006 and with Guidance on information requirements and chemical safety assessment Chapter R.7c: Endpoint specific guidance (ECHA, 2008), assessment of the toxicokinetic behavior of the substance is conducted to the extent that can be derived from the relevant available information. This comprises a qualitative assessment of the available substance specific data on physicochemical and toxicological properties according to the relevant Guidance (ECHA, 2008).
The substance is an UVCB with a molecular weight of about 1065 g/mol. It is a solid at room temperature, with an estimated water solubility of 86 mg/L at 20°C. The log Pow was estimated to be 3.2 (at 23°C) and the vapour pressure was calculated to be very low.
The expected toxicokinetic behavior is derived from the physicochemical properties, the results from the available toxicological studies and the available literature following the information given in guidance document 7c. Please note that the real behavior may be different but can only be determined with ADME studies, which are not justified based on the very low toxicity of the substance.
ABSORPTION
Absorption is a function of the potential for a substance to diffuse across biological membranes. The most useful parameters to provide information on this potential are the molecular weight, octanol/water coefficient (log Pow) value and water solubility (ECHA, 2008). The log Pow value provides information on the relative solubility of the substance in water and lipids (ECHA, 2008).
Based on the physicochemical properties, systemic availability of the UVCB substance may be limited but cannot be completely excluded following oral intake. Considering the very low to low vapor pressure, it is not expected that relevant amounts of the UVCB substance are inhalable under normal use conditions. Based on the physicochemical properties uptake of the UVCB substance into the systemic circulation following dermal exposure is very limited, if taken place at all. Following oral intake, it is expected that the majority of the chemical is excreted with the faeces. For any amounts potentially being bioavailable, it is assumed that circulation within the blood stream and subsequent metabolism may occur. Ultimately, absorbed amounts are expected to be excreted with the faeces or, to a lesser extent, in the urine depending on the molecular size. It is expected that the substance has no potential for bioaccumulation.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
Additional information
1) Physicochemical Data on 3-Isocyanatomethyl-3,5,5 -trimethylcyclohexyl isocyanate, oligomers, reaction products with 1,2 -propanediol, monocarbamate
The UVCB substance 3-Isocyanatomethyl-3,5,5 -trimethylcyclohexyl isocyanate, oligomers, reaction products with 1,2 -propanediol, monocarbamate appears as a solid at standard ambient temperature and pressure. The molecular weight of the UVCB substance depends on the degree of polymerisation and is expected to be considerably higher than 500 g/mol, the generic representative for the UVCB substance has a molecukar weight of 1065 g/mol. The calculated vapour pressure of the UVCB substance is very low and a moderate water solubility with 86 mg/L. The LogPow value is estimated to be 3.2 at 23°C.
2) Toxicokinetic Analysis of 3-Isocyanatomethyl-3,5,5 -trimethylcyclohexyl isocyanate, oligomers, reaction products with 1,2 -propanediol, monocarbamate
Absorption
Oral route:
In order to be absorbed into the systemic circulation, chemicals have to dissolve into the gastro-intestinal (GI) fluids and make contact with the mucosal surface. The water solubility of the substance is 86 mg/L, and is thus expected to readily dissolve into the gastrointestinal fluids.
The molecular weight of the reaction products is expected to be considerably above 500 g/mol and thus, does not favor absorption into the systemic circulation via the GI tract. With regards to toxicological data, an acute oral systemic toxicity studies in rats (OECD 423) conducted with the UVCB substance determined the respective LD50 value to be greater than 2000 mg/kg (limit dose) with only minor signs for toxicity (Impaired general state, dyspnoea and piloerection). Furthermore, a combined repeated dose toxicity study with the reproduction/developmental toxicity screening test in rats (OECD 422) was conducted on the read-across substance. No adverse effects were observed in the parental animals and the offspring. Thus, the NOAEL for general, reproductive and developmental toxicity was determined to be 1000 mg/kgbw/day (limit dose).
Overall, with regard to the physicochemical properties and the absence of critical systemic effects in the toxicological investigation, it is unlikely that relevant amounts of the UVCB substance will reach the systemic circulation. Even if certain amounts become bioavailable no systemic toxicity is expected.
Dermal route:
The physicochemical properties of the UVCB substance such as molecular weight and water solubility, will drastically limit the amount available for dermal absorption.
Again, the assumption that dermal absorption is limited is further strengthened by the results achieved from the dermal toxicity testing. In an acute dermal toxicity study (OECD 402), the substance did not cause any systemic effects and the LD50 was determined to be greater than the limit dose (2000 mg/kg bw). Furthermore, no indication of systemic absorption was evident with respect to the results obtained from a Local Lymph Node Assay (LLNA, OECD 429) assay conducted on mice. Here, no immunological response was triggered and no signs of systemic toxicity were present.
Overall, the physicochemical properties and the findings from the dermal toxicity study support that absorption into the systemic circulation is expected to be low, if even taken place at all, after dermal application.
Inhalation route:
Considering the estimated very low vapor pressure, the log Pow of 3.2 and the moderate water solubility, it cannot be ruled out that the substance is taken up via inhalation and could reach the deep lung.
Distribution
With regards to the physicochemical properties and the results achieved from the comprehensive toxicity testing, it appears that the bioavailability of the UVCB substance via the main entrance routes (i.e., oral, dermal and through inhalation) is limited but cannot be excluded. If any amounts of the UVCB become systemically available, they will be most likely transported within the body via the blood stream. Due to the absence of systemic effects in the oral toxicity studies, there are no hints with regard to any potential target organ.
Metabolism
Because absorption of the UVCB substance into the interior part of the body cells is considered to be limited, considerable contact of the substance with intracellular metabolizing enzymes is unlikely. However, in the event that fractions of the UVCB substance reach the systemic circulation it cannot be ruled out that they are metabolized by Phase I enzymes while undergoing functionalization reactions aiming to increase their hydrophilicity. Furthermore, Phase II conjugation reactions may covalently link an endogenous substrate to the chemicals or its Phase I metabolites in order to ultimately facilitate excretion.
Excretion
As mentioned before, it is expected that the bioavailability of the UVCB substance is most likely to be limited and distribution into the body will be low. Thus, it is expected that following oral ingestion the vast majority of the chemicals is excreted with the faeces. However, even if a certain amount of the reaction product is absorbed, this will most likely be excreted via the faeces as well due to the molecular size. For smaller degradation or break down products, resulting from metabolism processes, excretion via the urine might also be possible. Moreover, with regard to the substance’s LogPow value, the potential for bioaccumulation is expected to be negligible.
3 Summary
Based on the physicochemical properties, systemic availability of the UVCB substance may be limited but cannot be completely excluded following oral intake. Considering the very low to low vapor pressure, it is not expected that relevant amounts of the UVCB substance are inhalable under normal use conditions.
Based on the physicochemical properties uptake of the UVCB substance into the systemic circulation following dermal exposure is very limited, if taken place at all. Following oral intake, it is expected that the majority of the chemical is excreted with the faeces. For any amounts potentially being bioavailable, it is assumed that circulation within the blood stream and subsequent metabolism may occur. Ultimately, absorbed amounts are expected to be excreted with the faeces or, to a lesser extent, in the urine depending on the molecular size. It is expected that the substance has no potential for bioaccumulation.
UVCB substance will reach the systemic circulation. Even if certain amounts become bioavailable no systemic toxicity is expected.
Dermal route:
The physicochemical properties of the UVCB substance such as molecular weight and water solubility, will drastically limit the amount available for dermal absorption.
Again, the assumption that dermal absorption is limited is further strengthened by the results achieved from the dermal toxicity testing. In an acute dermal toxicity study (OECD 402), the substance did not cause any local or systemic effects and the LD50 was determined to be greater than the limit dose (2000 mg/kg bw). Furthermore, no indication of systemic absorption was evident with respect to the results obtained from a Local Lymph Node Assay (LLNA, OECD 429) assay conducted on mice. Here, no immunological response was triggered and no signs of systemic toxicity were present.
Overall, the physicochemical properties and the findings from the dermal toxicity studysupport that absorption into the systemic circulation is expected to be low, if even taken place at all, after dermal application.
Inhalation route:
Considering the low vapour pressure and the resulting low volatility, it is unlikely that the UVCB substance will become bioavailable via inhalation when handled at ambient temperature.
Distribution
With regards to the physicochemical properties and the results achieved from the comprehensive toxicity testing, it appears that the bioavailability ofthe UVCB substancevia the main entrance routes (i.e., oral, dermal and through inhalation) is limited but cannot be excluded. If any amounts of the UVCB become systemically available, they will be most likely transported within the body via the blood stream. Due to the absence of systemic effects in the oral toxicity studies, there are no hints with regard to any potential target organ.
Metabolism
Because absorption of the UVCB substance into the interior part of the body cells is considered to be limited, considerable contact of the substance with intracellular metabolising enzymes is unlikely. However, in the event that fractions of the UVCB substance reach the systemic circulation it cannot be ruled out that they are metabolised by Phase I enzymes while undergoing functionalisation reactions aiming to increase their hydrophilicity. Furthermore, Phase II conjugation reactions may covalently link an endogenous substrate to the chemicals or its Phase I metabolites in order to ultimately facilitate excretion.
Excretion
As mentioned before, it is expected that the bioavailability of the UVCB substance is most likely to be limited and distribution into the body will be low. Thus it is expected that following oral ingestion the vast majority of the chemicals is excreted with the faeces. However, even if a certain amount of the reaction product is absorbed, this will most likely be excreted via the faeces as well due to the molecular size. For smaller degradation or break down products, resulting from metabolism processes, excretion via the urine might also be possible. Moreover, with regard to the substance’s LogPow value, the potential for bioaccumulation is expected to be negligible.
3 Summary
Based on the physicochemical properties, systemic availability of the UVCB substance may be limited but cannot be completely excluded following oral intake. Considering the predicted very low vapor pressure it is not expected that relevant amounts of the UVCB substance are inhalable under normal use conditions. Based on the physicochemical properties uptake of the UVCB substance into the systemic circulation following dermal exposure is very limited, if taken place at all. Following oral intake, it is expected that the majority of the chemical is excreted with the faeces. For any amounts potentially being bioavailable, it is assumed that circulation within the blood stream and subsequent metabolism may occur. Ultimately, absorbed amounts are expected to be excreted with the faeces or, to a lesser extent, in the urine depending on the molecular size. It is expected that the substance has no potential for bioaccumulation.
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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