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EC number: 252-328-0 | CAS number: 35037-73-1
- 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
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The stability of isopropylisocyanat in an aqueous test solution was investigated. Test conditions simulate those used in ecotox testing according to EU Method C.3 'Algal inhibition test'.
- GLP compliance:
- no
- Remarks:
- but in compliance with general principles of GLP rules.
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- - 5 different sampling times from 0 to 20 hours
- Analysis was performed immediately - Buffers:
- buffer solution pH 7.0: 296.3 mL NaOH 0.1 mol/L + 500 mL Sodiumdihydrogenephosphate 0.1 mol/L adjusted to 1000 mL deionised water
- Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: Erlenmeyer flask 300 mL, with stopcock
- Lighting: radiation lamp, 11 Watt, 8000 lux, measured on the surface of the flask
- The test soulution and the head space were air saturated
TEST MEDIUM
- Kind and purity of water: deinoised water, e.g. purified over a Millipore system
- Preparation of test medium: the test compound (6 mg) was weighed in an Erlenmeyer flask and dissolved in 300 mL of buffer solution pH 7 by means of an ultrasonic bath (15 min). The resulting concentration was 20 mg/L. The Liquid was examined visually for undissolved particles, but was obviously clear. - Duration:
- 20 h
- pH:
- 7
- Temp.:
- 25 °C
- Initial conc. measured:
- 20 mg/L
- Number of replicates:
- 1
- Positive controls:
- yes
- Remarks:
- Isopropylamine
- Transformation products:
- yes
- No.:
- #1
- % Recovery:
- 86
- pH:
- 7
- Temp.:
- 25 °C
- Duration:
- 0 h
- pH:
- 4
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- < 1 h
- pH:
- 9
- Validity criteria fulfilled:
- not applicable
- Remarks:
- no guideline study was performed
- Conclusions:
- Test item degrades rapidly with a half live period of less than 1 hour (Bayer, 2003).
- Executive summary:
The stability of isopropyl isocyanate in an aqueous test solution was investigated. Test conditions simulate those used in ecotox testing according to EU Method C.3 'Algal inhibition test'. Isopropyl isocyanate degrades rapidly with a half live period of less than 1 hour (Bayer, 2003).
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- other information
- Study period:
- 2004
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Principles of method if other than guideline:
- Examination of the stability under conditions simulating those in the environment (pH 7, presence of light and air)
- GLP compliance:
- no
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling intervals for the parent/transformation products: samples were taken after 0, 1, 2, 4, 6 and 70 h
- Sampling method: pipette
- Sample storage conditions before analysis: analysis was performed immedeately after sampling - Transformation products:
- yes
- No.:
- #1
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- 7.3 h
- Validity criteria fulfilled:
- not applicable
- Remarks:
- no guideline study was performed
- Conclusions:
- Over the test duration of 70 h, the concentration of the test substance continuously decreased yielding a half-live of 7.3 h. 1-amino-4-chlorobenzene was identified as the only hydrolysis product (Bayer Industry Services, 2004).
- Executive summary:
The stability of 1-chloro-4-isocyanatobenzene under conditions simulating those in the environment was tested meaning a pH of 7 as well as the presence of air and light. The test substance was dissolved in a buffer solution and subsequently keept at a temperature of 25 °C and ilumination. Samples were periodically taken and measured by the means of HPLC. Over the test duration of 70 h, the concentration of the test substance continuously decreased yielding a half-live of 7.3 h. 1-amino-4-chlorobenzene was identified as the only hydrolysis product (Bayer Industry Services, 2004).
Referenceopen allclose all
Degradation products (CAS No./EC No./EINECS Name): 75-31-0 200-860-9 isopropylamine
At sampling period 0 hours, 11.9 mg/l isopropylamine were found. This value corresponds to about 86 % of the theoretical concentration (complete degradation of 20 mg/l isopropyl isocyanate would yield 13.9 mg/l isopropylamine). Obviously, already during the solution process of isopropyl isocyanate in water (15 minutes in an ultrasonic bath), hydrolysis occurs nearly completely. At sampling periods 1, 2, 3, and 20 hours, the concentration of isopropylamine is only in the range of 6-7 mg/l. However, isopropylamine is known to be chemically stable under the test conditions. Probably, some substance has been lost due to its volatility. Under the mentioned test conditions, isopropyl isocyanate degrades rapidly with a half life period of less than 1 hour yielding the only metabolite isopropylamine
The test compound is degradable in aqueous solutions:
a) Preparation of the test solution: vigorous agitation and ultrasonification for 10 minutes in order to dissolve 4-chlorophenyl isocyanate (target concentration 10 mg/l, 0.0651 mmol/l) leads to a rapid degradation of the test compound. More than 50% of the original amount of the test compound has been converted to 4-chloroaniline (4.39 mg/l, 0.0344 mmol/l) at time 0.
b) During the test, the test solution is allowed to stand still without any stirring or ultrasonification. The concentration of 4-chloroaniline increases continuously whereas 4-chlorophenyl isocyanate disappears in the same manner. Assuming a kinetic function of first order, a half life period of 7.3 hours can be calculated. After 70 h, the test was terminated. At this time, the test compound was completely converted to 4-chloroaniline.
Description of key information
The stability of an other isocyanate, isopropyl isocyanate, was tested in an aqueous test solution showing a rapid degradation (half live less than 1 hour). Further the stability of 1-chloro-4-isocyanatobenzene in a second test yielded a half-life of 7.3 h. The only hydrolysis products of both isocyanates were found to be the corresponding amines. These results support the expert statement attached in section 13 that a rapid hydrolysis in water with the corresponding amine as degradation product takes place.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 1 h
- at the temperature of:
- 25 °C
Additional information
Isocyanates are known to rapidly hydrolyse under the formation of the corresponding amine as well as solid polyurea compounds *. However, the insoluble inert polyurea is not assumed to cause environmental hazards due to the reduced uptake of high molecular mass compounds, whereas the amine is assumed to be the ecotoxicological relevant species. Concluding, tests performed using the corresponding amine can equally be used to assess the ecotoxicological hazards of isocyanates assuming the complete transfer of the isocyanate into the corresponding amine while neglecting the formation of a certain fraction ecotoxicological not active polyurea compounds. 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). Isopropylisocyante: Investigation on Stability in Aqueous Test Solutions. Project No: 200300095. Leverkusen, Germany.
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