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EC number: 229-904-5 | CAS number: 6829-22-7
- 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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2014-09-15 till 2014-11-18
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: OECD guideline study without restrictions.
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
- Version / remarks:
- (adopted, May 2008)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
- Version / remarks:
- (adopted, January 2001)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil
- Radiolabelling:
- no
- Test temperature:
- The reference Koc-values in the OECD-guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature is without influence on the result of the determination. The calibration was done referring to Koc- values of reference substances determined at 25 °C.
- Details on study design: HPLC method:
- Chromatograph: High Performance Liquid Chromatograph, Agilent 1100
Chromatographic conditions:
Column type: length: 250 mm, inner diameter: 4 mm
Stationary Phase: LiChrospher 100 CN, particle diameter: 5 μm
Supplier: Fa. Merck
Mobile Phase: A: 835 mL demineralized water (Millipore) + 165 mL buffer pH 6 (Fluka, Art. No. 33545); B: Acetonitril
Flow rate: 1.0 mL/min
Column temperature: 40 °C
Detection: UV, 220 nm
Injection volume: 3 μL - Details on sampling:
- Preparation of the test solutions.
The dead time marker sodium nitrate and the calibration substances were dissolved in acetonitrile / demineralized water 9:1 and diluted with acetonitrile. 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one was dissolved with 20 mL tetrahydrofuran and filled up to a volume of 100 mL with acetonitrile. This solution was diluted with acetonitrile. The concentration for the calibration substances was approximately 0.02 to 0.1 mg/mL. The concentration for 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one was approximately 0.05 mg/mL. - Computational methods:
- Log Koc Prediction.
The log Koc value was calculated with the software KOCWIN v. 2.00 assuming the nonionic form. KOCWIN is owned by the U.S.Environmental Protection Agency.
Result: log Koc = 5.2. - Type:
- log Koc
- Value:
- 4.7
- Temp.:
- 25 °C
- Remarks on result:
- other: (Retention time [tr] was 11.12 min)
- Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one was determined by HPLC and the chromatogram showed 1 signal eluting at 11.1 min. The log Koc was calculated at 4.7.
- Executive summary:
The adsorption coefficient of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one was determined according to the EU method C.19 and the OECD guideline No. 121 "Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC)”. The adsorption coefficient (Koc) of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one was
determined according to the HPLC method at 40 °C. In order to comply with the guideline OECD 121 and considering environmental relevance, pH 6 was chosen as pH value for the buffer. The reference Koc-values in the OECD-guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature is without influence on the result of the determination. The calibration was done referring to Koc- values of reference substances determined at 25 °C. The chromatogram of 14H-benz[4,5]isoquino[2,1]perimidin-14 -one showed 1 signal eluting at 11.1 minutes. The log Koc was calculated at 4.7.
Reference
Mean value of 3 single values of the calibration substances.
Calibration items | Retention time [tr] | Capacity factor | Log k' | Log Koc |
= min | k' | |||
2 -Nitrobenzamide | 2.974 | 0.714 | -0.147 | 1.45 |
3,5 -Dinitrobenzamide | 3.487 | 1.010 | 0.004 | 2.31 |
1,2,3 -Trichlorobenzene | 6.599 | 2.804 | 0.448 | 3.16 |
Phenanthrene | 8.200 | 4.802 | 0.682 | 4.20 |
Doclofop-methyl | 10.064 | 4.802 | 0.682 | 4.20 |
9,10 -Dimethyl-1,2 -benzanthracene | 13.867 | 6.994 | 0.845 | 5.37 |
Determined values of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one (single values)
Test item | Retention | Retention | Retention | Standard | Relative |
time [tr] | time [tr] | time [tr] | deviation | standard | |
(min) | (min) | (min) | of the | deviation | |
Test 1 | Test 2 | Test 3 | retention | of the | |
time [tr] | retention | ||||
(min) | time [tr] | ||||
(%) | |||||
14H-benz[4,5]isoquino[2,1-a]perimidin-14-one | 11.148 | 11.102 | 11.111 | 0.024 | 0.22 |
Mean value of 3 single values of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one
Test item | Retention time | Capacity factor | Log k' | Log Koc |
[tr] = min | k' | |||
14H-benz[4,5]isoquino[2,1-a]perimidin-14-one |
11.120 | 5.411 | 0.7337 | 4.67 |
Description of key information
The adsorption coefficient of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one was determined by HPLC and the chromatogram showed 1 signal eluting at 11.1 min. The log Koc was calculated at 4.7.
Key value for chemical safety assessment
- Koc at 20 °C:
- 50 119
Additional information
The temperature was reported at 25 °C.
[LogKoc: 4.7]
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