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EC number: 270-109-8 | CAS number: 68411-20-1
- 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
Phototransformation in water
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in water
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with national standard methods with acceptable restrictions
- Remarks:
- (Non-GLP)
- Study type:
- direct photolysis
- Principles of method if other than guideline:
- The stability of the test substance in aqueous test solutions under irradiation was investigated.
The study was performed in order to examine the stability under conditions simulating those in the environment (pH 7, presence of light and air). Under these conditions, chemicals may be exposed to abiotic degradation by several chemical and physical processes, e.g. hydrolysis, oxidation and photolysis. - GLP compliance:
- no
- Remarks:
- This study was conducted in compliance with ISO/IEC 17025 ‘General requirements for the competence of testing and calibration laboratories’.
- Radiolabelling:
- no
- Analytical method:
- high-performance liquid chromatography
- Details on sampling:
- - Aliquots of the samples were analysed by HPLC and UV/VIS-detection (injection volume: 50 μL)
- Samples were taken at 0 hours, 24, 72, 168, 312 and 480 hours.
- Storage : Routinely, the samples were analysed immediately. Only in exceptional cases, they were stored overnight deep frozen and protected from light.
- Reagents and Solvents: Millipore water / Acetonitrile / sodium sulphate / KH2PO4
- precipitation - Buffers:
- - pH: 7
- Light source:
- not specified
- Light spectrum: wavelength in nm:
- 400 - 700
- Details on light source:
- A photon flow density ranging from 110 to 140 μE x m-2 x s-1, or an equivalent range of 7300 to 9300 lux, was measured. The light intensity was checked before the start of the test.
- Details on test conditions:
- - Test 1: buffer pH7
- Test 2: in OECD 201 medium (pH of 7.4 which was adjusted with NaOH solution to pH 8 as required by OECD 201)
- continuous illumination
- 24.8 mg of the test item was dissolved in 100 mL acetonitrile. These stock solutions were 1:100 diluted with buffer solution pH 7 or with OECD 201 medium, leading to a test item concentration of 2.48 mg/L.
- After preparation, the test solutions were deposited in a climate chamber in which a temperature in the range of 22°C +/- 1°C was maintained. Temperature was measured and recorded daily.
- Half-life times and degradation rates of the test substance were calculated from the degradation curves. - Duration:
- 20 d
- Temp.:
- 22 °C
- Initial conc. measured:
- 2.48 mg/L
- Reference substance:
- no
- Dark controls:
- no
- Computational methods:
- Calculation was done using an external standardization method and a calibration curve. The calibration curve was calculated according to equation (1).
(1) y = a * x + b
where:
y = peak area of test item in injected sample (counts)
x = concentration of test item in injected sample (mg/L)
a = 323.8
b = -0.468
The correlation coefficient R2 was
R2 = 1.0000
To verify the calibration the recovery rate of the verification solution had to be calculated according to equation (2).
(2) recovery % = mean value of assay nominal concentration * 100
The recovery rate was 99.9 % (number of determinations: 7). - DT50:
- 15 d
- Test condition:
- Buffer pH7
- DT50:
- 11.8 d
- Test condition:
- OECD 201 nutrient medium; for the last two sampling times precipitations were observed but have been made available for HPLC detection
- Transformation products:
- not measured
- No.:
- #1
- No.:
- #2
- Details on results:
- Half-life-times and photolysis rate constants at 22°C:
Test 1 (Buffer pH7): t (½) = 15 days, k = 3.9 x 10-7 s-1
Test 2 (OECD medium): t (½) = 11.8 * days, k = 6.8 x 10-7 *
*result to be handled with care:
In test 2, a nutrient-enriched medium containing salts was taken to examine the stability. In comparison to test 1, catalytic processes might reduce the stability. However this effect was not observed as the half-life time of about 11.8 days does not differ significantly from the half-life of 15 days obtained in test 1. However the result of test 2 should be handled with care as at least for the last two sampling times precipitations were observed. If not completely in solution during the test, the substance is hidden for reaction and cannot be degraded photolytically. On the other hand, precipitations of the substance are soluble in the HPLC eluent and have been made available for HPLC detection. For this reason it is assumed that in complete solution the reaction in test 2 should occur even more rapidly than described.
Besides aniline, other degradation products appeared in the HPLC chromatogram. Structure elucidation was not performed. Eluting in the reversed-phase chromatography prio to aniline, it can be supposed that the degradation products have a relatively high polarity. - Validity criteria fulfilled:
- not applicable
- Conclusions:
- The test item is degradable with a half-life of 15 days or less (based on a 24h-day) by direct photolysis.
- Executive summary:
The stability of the test item in aqueous test solutions under irradiation was investigated. The tests were performed in order to examine the stability under conditions simulating those in the environment (pH 7, presence of light and air). Under these conditions, chemicals may be exposed to abiotic degradation by several chemical and physical processes, e.g. hydrolysis, oxidation and photolysis. Two tests have been performed at a temperature of 22°C:
- Test 1 was performed under these conditions in buffer solution,
- Test 2 was performed in an algae nutrient medium. The ingredients of the nutrient medium simulate typical environmental conditions concerning occurring traces of inorganic compounds which may influence the chemical stability of the test substance in the environment. Conditions for ventilation and nutrient medium were identical to those used in ecotox testing in accordance with OECD Guideline for Testing of Chemicals No. 201 (2006) ‘Alga, Growth Inhibition Test’.
Both tests were irradiated with illumination of 110-140 µE x m-2 x s-1; (measured in the range 400 to 700 nm) in a test volume of 25 ml in 300 mL Erlenmeyer flasks. The samples were taken at time point 0 and 5 subsequent intervals up to 480 hours (20 days) and analysed using a HPLC method with UV detection.
The degradation of the investigated test substance can be described by zero order kinetics (test 1) and first order kinetics (test 2). Half-life times and degradation rates of the test substance were calculated from the degradation curves. The results of the test series in different media clearly indicate that the test substance in water is photolytically unstable in the presence of light. The test substance is degradable with a half-life of 15 days or less (based on a 24h-day) by direct photolysis.
Reference
In the environment chemicals usually occur in dilute solution which means that water is present in large excess and intensive light is available. The concentration of water remains essentially constant during photolysis. The kinetics of photolysis is often zero order or first order at fixed pH and temperature. The concentration of the test substance is determined as a function of time. In case of first order kinetics, the logarithms of the concentrations are plotted against time and the slope of the resulting straight line gives the rate constant from the formula. kobs = - slope * 2.303 (if log10 is used).
The individual results of the test series are listed in the following tables:
a) Results test 1 (Buffer pH7):
time (h) | 0 | 24 | 72 | 168 | 312 | 480 |
area of peak at RT 9.6 | 5.9 | 6.5 | ||||
area of peak at RT 12.2 | 8.8 | 21.3 | 13.8 | 28.2 | 29.2 | 18 |
area of peak at RT 12.7 |
64.2 | 15.4 | ||||
area of peak at RT 13.77 |
25.6 | 21.5 | 22.2 | 12.8 | 14.5 | 9.3 |
area of peak at RT 15.73 (3-ethyl-4-propyl-quinoline) |
21.6 | 61.2 | 71.2 | 53.2 | 26.5 | 11.1 |
area of peak at RT 17.3 |
||||||
area of peak at RT 20.25 | ||||||
area of peak at RT 20.77 | 6.2 | |||||
Area sum RT>8 min | 126.4 | 125.3 | 113.7 | 94.2 | 70.2 | 38.4 |
c/c0 | 1 | 0.99 | 0.90 | 0.75 | 0.56 | 0.30 |
RT = retention time in HPLC analysis
The sum of HPLC peak areas is formed by a complex behaviour of several individual components: Some of them disappear rapidly at the beginning of the test (e.g. RT 12.2, 20.77) and others are first formed and then degraded (e.g. RT 9.6, RT 15.73, 3-ethyl-4-propyl-quinoline). It is well known that photochemical reactions often follow a zero order kinetics. The half-life was calculated using the trend line in degradation curve (Figure 1, see Illustration picture below) with the equation: Half-life (h) = 1.0077/0.0015*0.5 = 360 h (15 days).
The photolysis rate constant was calculated using the equation for a zero order kinetics: c (t) = K x t K = c(t) / t = 3.85 x 10-7 s-1
b) Results test 2 (OECD nutrient medium, pH8):
time (h) | 0 | 24 | 72 | 168 | 312 | 480 |
area of peak at RT 9.6 | 8.5 | |||||
area of peak at RT 12.2 | 14.1 | 11.2 | 17 | 16.2 | 12.8 | |
area of peak at RT 12.7 |
36.1 | 11.4 | ||||
area of peak at RT 13.77 |
24.8 | 22.9 | 18.2 | 12.7 | 18.1 | 18.5 |
area of peak at RT 15.73 (3-ethyl-4-propyl-quinoline) |
17.8 | 29.5 | 28.6 | 15.1 | 10.2 | |
area of peak at RT 17.3 |
6.3 | |||||
area of peak at RT 20.25 | 24 | |||||
area of peak at RT 20.77 | 22.2 | |||||
Area sum RT>8 min | 124.9 | 84.2 | 66.5 | 44.8 | 44.5 | 31.3 |
c/c0 | 1 | 0.67 | 0.53 | 0.36 | 0.36 | 0.25 |
RT = retention time in HPLC analysis
The sum of HPLC peak areas is formed by a complex behaviour of several individual components: Some of them disappear rapidly at the beginning of the test (e.g. RT 12.7, 20.25, 20.77) and others are first formed and then degraded (e.g. RT 9.6, RT 15.73, 3-ethyl-4-propyl-quinoline). The half-life was calculated using the trend line in degradation curve (Figure 3, see Illustration picture below) with the equation: c (t) = c0 x e-kt, Half-life = 11.8 days.
The photolysis rate constant was calculated using the same equation K = 6.77 x 10-7 s-1
Description of key information
The test item is degradable with a half-life of 15 days or less (based on a 24h-day) by direct photolysis.
Key value for chemical safety assessment
- Half-life in water:
- 15 d
Additional information
The stability of the test item in aqueous test solutions under irradiation was investigated. The tests were performed in order to examine the stability under conditions simulating those in the environment (pH 7, presence of light and air). Under these conditions, chemicals may be exposed to abiotic degradation by several chemical and physical processes, e.g. hydrolysis, oxidation and photolysis. Two tests have been performed at a temperature of 22°C:
- Test 1 was performed under these conditions in buffer solution,
- Test 2 was performed in an algae nutrient medium. The ingredients of the nutrient medium simulate typical environmental conditions concerning occurring traces of inorganic compounds which may influence the chemical stability of the test substance in the environment. Conditions for ventilation and nutrient medium were identical to those used in ecotox testing in accordance with OECD Guideline for Testing of Chemicals No. 201 (2006) ‘Alga, Growth Inhibition Test’.
Both tests were irradiated with illumination of 110-140 µE x m-2 x s-1; (measured in the range 400 to 700 nm) in a test volume of 25 ml in 300 mL Erlenmeyer flasks. The samples were taken at time point 0 and 5 subsequent intervals up to 480 hours (20 days) and analysed using a HPLC method with UV detection.
The degradation of the investigated test substance can be described by zero order kinetics (test 1) and first order kinetics (test 2). Half-life times and degradation rates of the test substance were calculated from the degradation curves. The results of the test series in different media clearly indicate that the test substance in water is photolytically unstable in the presence of light.
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