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EC number: 203-137-6 | CAS number: 103-71-9
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- no data
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Justification for type of information:
- According to handbook data, isocyanates react rapidly with water forming aminic structures as well as carbamic acids, which are mostly unstable, and ureas under release of carbon dioxide. Monitoring the amine formation in hydrolysis studies gives a picture of the degradation of the isocyanate. This behaviour of isocyanates has been used in studies to determine the rate of degradation*. In Guidance on IR & CSA Chapter R.6 it is mentioned that degradation products instead of parent substance can be investigated for ecotoxicological effects if the hydrolysis is very rapidly (t1/2 <1 h), OECD Guidance Document on Aquatic Toxicity Testing of Difficult Substances and Mixtures (2000) and Guidance on IR & CSA Chapter R.7b state the same. As phenyl isocyanate hydrolyses to aniline this is the ecotoxicological relevant species. Concluding, tests performed using the corresponding amine can equally be used to assess the ecotoxicological hazards of phenyl isocyanate. An underestimation of environmental hazards is thus avoided supporting a conservative and thus protective hazard assessment.
* Bayer Industry Services (2004), 4-chlorophenyl-isocyanate: Investigation on Stability in Aqueous Test Solutions. Project No: 200300181. Leverkusen, Germany.
Bayer Industry Services (2003), Isopropyl isocyanate: Investigation on Stability in Aqueous Test Solutions. Project No: 200300095. Leverkusen, Germany. - Reason / purpose for cross-reference:
- read-across: supporting information
- Principles of method if other than guideline:
- Uptake and elimination kinetics experiments were performed as described by:
Kalsch et al. (1990). Uptake, elimination and bioconcentration of ten anilines in zebrafish Brachydanio rerio. Chemosphere 22: 351-363 - GLP compliance:
- not specified
- Radiolabelling:
- yes
- Vehicle:
- no
- Details on preparation of test solutions, spiked fish food or sediment:
- - solution of test substance in charcoal-filtered tapwater
- Test organisms (species):
- Danio rerio (previous name: Brachydanio rerio)
- Details on test organisms:
- TEST ORGANISM
- Common name: zebrafish
- Source: West Aquarium, Bad Lauterberg, FRG
- Age at study initiation (mean and range, SD): 150-450 mg - Route of exposure:
- aqueous
- Test type:
- static
- Water / sediment media type:
- natural water: freshwater
- Test temperature:
- 26°C
- pH:
- 8.1+/-0.1
- Details on test conditions:
- - 60 fishes of both sexes were exposed under static conditions to 5L of a 0.2 µg/L solution of the test substance
- animals were not fed during the experiment
- chemical exposure under static conditions until steady state of uptake and elimination
- afterwards fish were kept in clean water under flow-through conditions (10 L/h)
- amount of radioactivity kept constant by adding stock solution, if required
- To determine the concentration of the test substance in fish, samples of 3 fishs were removed, weighed and combusted in a sample oxidizer - Nominal and measured concentrations:
- test concentration: 0.2 µg/L
- Reference substance (positive control):
- no
- Details on estimation of bioconcentration:
- BASIS INFORMATION
- Calculated logPow: 0.9 (Arnold et al., 1990. QSAR)
BASIS FOR CALCULATION OF BCF
- Uptake data are fitted to a monophasic time course (Branson et al., 1975; Bishop and Maki, 1980; Call et al., 1980), according to a one-compartment model for the fish
- Since an obviously biphasic elimination occured, elimination data can be described by a two-compartment model for the fish (Nagel and Ulrich, 1980; Spacie and Hamelink, 1982)
- Calculation of the uptake rate constant is carried out according to Nagel (1988). - Type:
- BCF
- Value:
- 2.6 L/kg
- Remarks on result:
- other: +/- 0.06
- Details on kinetic parameters:
- - Uptake rate constant (k1): 11.1 +/- 3.2 /h
- Metabolites:
- - The only metabolite identified in water is the corresponding acetanilide. It was also detected in the ethanolic extract of fish.
- N-Acetylation of the primary amino group by acetyl CoA-dependent N-acetyltransferase is reviewed for several species by King and Glowinski (1983) and by Caldwell (1986). - Validity criteria fulfilled:
- not specified
- Conclusions:
- The aquatic bioaccumulation of aniline was measured, yielding a BCF of 2.6 L/kg wwt+/- 0.06 L/kg wwt.
- Executive summary:
The aquatic bioaccumulation of aniline was measured as BCF of 2.6 L/kg wwt+/- 0.06 L/kg wwt.
According to handbook data, isocyanates react rapidly with water forming aminic structures as well as carbamic acids, which are mostly unstable, and ureas under release of carbon dioxide. Monitoring the amine formation in hydrolysis studies gives a picture of the degradation of the isocyanate. This behaviour of isocyanates has been used in studies to determine the rate of degradation*. In Guidance on IR & CSA Chapter R.6 it is mentioned that degradation products instead of parent substance can be investigated for ecotoxicological effects if the hydrolysis is very rapidly (t1/2 <1 h), OECD Guidance Document on Aquatic Toxicity Testing of Difficult Substances and Mixtures (2000) and Guidance on IR & CSA Chapter R.7b state the same. As phenyl isocyanate hydrolyses to aniline this is the ecotoxicological relevant species. Concluding, tests performed using the corresponding amine can equally be used to assess the ecotoxicological hazards of phenyl isocyanate. An underestimation of environmental hazards is thus avoided supporting a conservative and thus protective hazard assessment.
* Bayer Industry Services (2004), 4-chlorophenyl-isocyanate: Investigation on Stability in Aqueous Test Solutions. Project No: 200300181. Leverkusen, Germany.
Bayer Industry Services (2003), Isopropyl isocyanate: Investigation on Stability in Aqueous Test Solutions. Project No: 200300095. Leverkusen, Germany.
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- According to handbook data, isocyanates react rapidly with water forming aminic structures as well as carbamic acids, which are mostly unstable, and ureas under release of carbon dioxide. Monitoring the amine formation in hydrolysis studies gives a picture of the degradation of the isocyanate. This behaviour of isocyanates has been used in studies to determine the rate of degradation*. In Guidance on IR & CSA Chapter R.6 it is mentioned that degradation products instead of parent substance can be investigated for ecotoxicological effects if the hydrolysis is very rapidly (t1/2 <1 h), OECD Guidance Document on Aquatic Toxicity Testing of Difficult Substances and Mixtures (2000) and Guidance on IR & CSA Chapter R.7b state the same. As phenyl isocyanate hydrolyses to aniline this is the ecotoxicological relevant species. Concluding, tests performed using the corresponding amine can equally be used to assess the ecotoxicological hazards of phenyl isocyanate. An underestimation of environmental hazards is thus avoided supporting a conservative and thus protective hazard assessment.
* Bayer Industry Services (2004), 4-chlorophenyl-isocyanate: Investigation on Stability in Aqueous Test Solutions. Project No: 200300181. Leverkusen, Germany.
Bayer Industry Services (2003), Isopropyl isocyanate: Investigation on Stability in Aqueous Test Solutions. Project No: 200300095. Leverkusen, Germany. - Reason / purpose for cross-reference:
- read-across source
- Type:
- BCF
- Value:
- 2.6 L/kg
- Remarks on result:
- other: +/- 0.06
- Details on kinetic parameters:
- - Uptake rate constant (k1): 11.1 +/- 3.2 /h
- Metabolites:
- - The only metabolite identified in water is the corresponding acetanilide. It was also detected in the ethanolic extract of fish.
- N-Acetylation of the primary amino group by acetyl CoA-dependent N-acetyltransferase is reviewed for several species by King and Glowinski (1983) and by Caldwell (1986). - Conclusions:
- The aquatic bioaccumulation of aniline was measured, yielding a BCF of 2.6 L/kg wwt+/- 0.06 L/kg wwt.
- Executive summary:
The aquatic bioaccumulation of aniline was measured as BCF of 2.6 L/kg wwt+/- 0.06 L/kg wwt. The only metabolite identified in water is the corresponding acetanilide. It was also detected in the ethanolic extract of fish. Radioactivity was measured by a liquid-scintillation spectrometer and biotransformation products were analyzed by HPLC.
According to handbook data, isocyanates react rapidly with water forming aminic structures as well as carbamic acids, which are mostly unstable, and ureas under release of carbon dioxide. Monitoring the amine formation in hydrolysis studies gives a picture of the degradation of the isocyanate. This behaviour of isocyanates has been used in studies to determine the rate of degradation*. In Guidance on IR & CSA Chapter R.6 it is mentioned that degradation products instead of parent substance can be investigated for ecotoxicological effects if the hydrolysis is very rapidly (t1/2 <1 h), OECD Guidance Document on Aquatic Toxicity Testing of Difficult Substances and Mixtures (2000) and Guidance on IR & CSA Chapter R.7b state the same. As phenyl isocyanate hydrolyses to aniline this is the ecotoxicological relevant species. Concluding, tests performed using the corresponding amine can equally be used to assess the ecotoxicological hazards of phenyl isocyanate. An underestimation of environmental hazards is thus avoided supporting a conservative and thus protective hazard assessment.
* Bayer Industry Services (2004), 4-chlorophenyl-isocyanate: Investigation on Stability in Aqueous Test Solutions. Project No: 200300181. Leverkusen, Germany.
Bayer Industry Services (2003), Isopropyl isocyanate: Investigation on Stability in Aqueous Test Solutions. Project No: 200300095. Leverkusen, Germany.
Referenceopen allclose all
- result in accordance with measured log Kow of 0.9
- no indication of a bioaccumulation potential due to exposure via water
- result in accordance with measured log Kow of 0.9
- no indication of a bioaccumulation potential due to exposure via water
Description of key information
The aquatic bioaccumulation of the hydrolysis product aniline was measured, yielding a BCF of 2.6 L/kg wwt.
Key value for chemical safety assessment
- BCF (aquatic species):
- 2.6 L/kg ww
Additional information
Due to the rapid hydrolysis of phenyl isocyanate and the absence of bioaccumulation data for the substance, a read across approach is applied, based on the following assumption:
According to handbook data, isocyanates react rapidly with water forming aminic structures as well as carbamic acids, which are mostly unstable, and ureas under release of carbon dioxide. Monitoring the amine formation in hydrolysis studies gives a picture of the degradation of the isocyanate. This behaviour of isocyanates has been used in studies to determine the rate of degradation*. In Guidance on IR & CSA Chapter R.6 it is mentioned that degradation products instead of parent substance can be investigated for ecotoxicological effects if the hydrolysis is very rapidly (t1/2 <1 h), OECD Guidance Document on Aquatic Toxicity Testing of Difficult Substances and Mixtures (2000) and Guidance on IR & CSA Chapter R.7b state the same. As phenyl isocyanate hydrolyses to aniline this is the ecotoxicological relevant species. Concluding, tests performed using the corresponding amine can equally be used to assess the ecotoxicological hazards of phenyl isocyanate. An underestimation of environmental hazards is thus avoided supporting a conservative and thus protective hazard assessment.
* Bayer Industry Services (2004), 4-chlorophenyl-isocyanate: Investigation on Stability in Aqueous Test Solutions. Project No: 200300181. Leverkusen, Germany.
Bayer Industry Services (2003), Isopropyl isocyanate: Investigation on Stability in Aqueous Test Solutions. Project No: 200300095. Leverkusen, Germany.
For assessment, only the most reliable study using aniline as test substance is considered, to draw a conclusion on the bioaccumulation behaviour of phenyl isocyanate.
The aquatic bioaccumulation of aniline was measured, yielding a BCF of 2.6 L/kg wwt +/- 0.06 L/kg wwt.
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