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Diss Factsheets
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EC number: 202-112-7 | CAS number: 91-97-4
- 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)
- Endpoint:
- basic toxicokinetics, other
- Remarks:
- Expert Judgement
- Type of information:
- other: Expert Judgement
- Adequacy of study:
- key study
- Study period:
- 2010
- Reliability:
- 1 (reliable without restriction)
- Qualifier:
- according to guideline
- Guideline:
- other: Expert statement
- Principles of method if other than guideline:
- Rational argumentation based in physico-chemical properties of TODI and read-across from similar substance
- Radiolabelling:
- other: not applicable
- Details on test animals or test system and environmental conditions:
- not applicable
- Details on exposure:
- not applicable
- Duration and frequency of treatment / exposure:
- not applicable
- Remarks:
- Doses / Concentrations:
not applicable - No. of animals per sex per dose / concentration:
- not applicable
- Positive control reference chemical:
- not applicable
- Details on study design:
- not applicable
- Details on dosing and sampling:
- not applicable
- Statistics:
- not applicable
- Preliminary studies:
- not applicable
- Details on absorption:
- Data on the absorption or the metabolic fate and thus information on the toxicokinetics in humans of absorbed TODI is very limited.
No information is available on the toxicokinetics of TODI or e.g. "MDI" (methylene diphenyl diisocyanate, similar compound to TODI) following oral exposure in animals. But due to its high reactivity, orally ingested TODI will undergo spontaneous hydrolysis upon reaching the stomach as degradation products that are insoluble in water and thus TODI is not likely to cross gastrointestinal-tract membranes. Taken together, absorption in the gastrointestina-tract of TODI and consequently bioavailability is rather unlikely. - Details on distribution in tissues:
- no data available
- Details on excretion:
- Excretion is likely to occur in form of GSH-conjugates. It is assumed to appear mainly via faeces (similar as shown in a study with MDI: 5% via urine and 79% in faeces).
- Details on metabolites:
- no data available
- Bioaccessibility (or Bioavailability) testing results:
- no data available
Reference
Description of key information
The substance has a very low to negligible bioavailability and bioaccumulation potential.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
Additional information
Very low to negligible bioavailability and bioaccumulation
The unique feature common to all diisocyanates is that they consist of two N=C=O (isocyanate) functional groups attached to an aromatic or aliphatic parent compound. Because of the highly unsaturated nature of the isocyanate functional group, the diisocyanates readily react with compounds containing active hydrogen atoms (electrophiles). Thus, the diisocyanates readily react with water (humidity), alcohols, amines, etc. Due to its main chemical property designed for the compound’s use, TODI has a very limited stability in water, as it rapidly reacts upon contact with water. Thus, all toxicokinetic analyses have to consider that TODI is designed to rapidly react upon contact with water, resulting in degradation products that are insoluble in water and organic solvents. In general isocyantes react rapidly with water at ordinary temperatures, giving rise to 1.3-disubstituted ureas and carbon dioxide. Due to the very low water solubility (calculated: 0.1128 mg/L at 25 degree C) and fast hydrolysis an experimental determination of the partition coefficient of TODI or Bioconcentration factors (BCF) are technically not feasible. The calculated values for a potential degradation product (TODA: 4,4'-bi-o-toluidine; 3,3'-Dimethyl-4,4'-diamino-biphenyl, CAS no. 119 -93 -7, EC no. 204 -358 -0) are 2.34 to 3.02 in case of log Pow and 16.25 in case of BCF. Thus, no tendency to bioaccumulation is expected.
Adsorption and excretion
Data on the absorption or the metabolic fate and thus information on the toxicokinetics in humans of absorbed TODI is very limited. No information is available on the toxicokinetics of TODI or e.g. "MDI" (methylene diphenyl diisocyanate, similar compound to TODI) following oral exposure in animals. But due to its high reactivity, orally ingested TODI will undergo spontaneous hydrolysis upon reaching the stomach as degradation products that are insoluble in water and thus TODI is not likely to cross gastrointestinal-tract membranes. Taken together, absorption in the gastrointestina-tract of TODI and consequently bioavailability is rather unlikely. Even if orally or dermally absorbed, TODI's toxicity is very low due to the low water solubility and bioavailability. Acute oral and dermal toxicity studies with TODI revealed a LD50 > 2000 mg/kg in a limit dose test. As the lower proportion, TODI is likely excreted in form of GSH-conjugates via urine. Excretion is supposed to appear mainly via faeces (similar as shown in a study with MDI: 5% via urine and 79% in faeces).
Sensitisation potential
Due to the high reactivity with hydroxyl-, amin-, carboxyl and mercaptogroups the permeation and absorption of intact isocyanates through the skin or the mucosa of the respiratory tract is quite improbable but this reactivity may explain the sensitisation potential of TODI: The high reactivity of TODI with nucleophilic biomolecules promotes immunological reactions and consequently TODI showed a sensitisation potential (sensitiser) in a maximisation study. The mechanism behind isocyanate-related hypersensitivity is still obscure. Immediate allergic, late allergic and dual-phase responses can occur. Humoral as well as cellular immunity may be involved in the pathogenesis of hypersensitivity due to isocyanates. The specific humoral response can be IgE as well as IgG mediated. Cross-reactivity with other isocyanates has been described in several publications. Consequently, although there is no respective result from a inhalation study available for TODI, and based on the fact that similar substances as e.g. MDI (CAS no. 9016-87-9) and 4,4'-Methylendicyclohexyldiisocyanat (CAS no. 5124-30-1; EC no. 225-863-2) are classified for skin and respiratory sensitisation cat. 1 it is to be assumed that TODI "may cause allergy or asthma symptoms or breathing difficulties if inhaled" (H334).
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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