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EC number: 213-485-0 | CAS number: 957-68-6
- 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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Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- July 26, 2012 to November 26, 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Comparable to guideline study (OECD107) with acceptable restrictions
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 3-acetoxymethylen-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- EC Number:
- 213-485-0
- EC Name:
- 3-acetoxymethylen-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- Cas Number:
- 957-68-6
- Molecular formula:
- C10H12N2O5S
- IUPAC Name:
- (6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
- Details on test material:
- Name: 7-Aminocefalosporansäure (7-ACA)
Lot no.: B146988
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- < -3.4
- Temp.:
- 20 °C
- pH:
- ca. 4
- Details on results:
- The measurements of the Octanol phases produced a signal of the test item in the HPLC, which is not as clear as in the aqueous phases. Due to the presence of Octanol, the peak of the test item is overlaid by another signal (see Figure 4), which was not observed in the aqueous phases or in the calibration. Although the integration of the test item signal for the Octanol phases is more conservative and should lead to higher concentrations, the concentrations of the tests 1a to 2b were below the lowest reasonable calibration standard with a concentration of 0.054275 mg/L.
Any other information on results incl. tables
Table4 shows the results of the main test for the determination of the partition coefficient.
The values represented in the table are rounded values. The calculation was carried out with the original not rounded values.
Table4: Main test for the determination of the partition coefficient
Test |
1a |
1b |
2a |
2b |
3a |
3b |
c (aqueous phases) [mg/L] (measured values) |
131.13 / 131.03 |
131.97 / 130.94 |
84.70 / 84.54 |
83.58 / 83.45 |
262.25 / 261.76 |
257.66 / 257.41 |
c (aqueous phases, mean values) [mg/L] |
131.09 |
131.46 |
84.62 |
83.52 |
262.01 |
257.54 |
pH value of aq. phases (24°C) |
4.3 |
4.1 |
4.1 |
4.1 |
3.8 |
3.8 |
c (n-Octanol phases) [mg/L] (measured values) |
<0.05 / <0.05 |
<0.05 / <0.05 |
<0.05 / <0.05 |
<0.05 / <0.05 |
0.08 / |
0.08 / |
c (n-Octanol phases, mean values) [mg/L] |
<0.05 |
<0.05 |
<0.05 |
<0.05 |
0.08 |
0.08 |
Total recovery rate of the test item [%] |
88 |
89 |
86 |
84 |
88 |
87 |
POW |
<0.0004 |
<0.0004 |
<0.0006 |
<0.0006 |
0.0003 |
0.003 |
log POW |
<-3.4 |
<-3.4 |
<-3.2 |
<-3.2 |
-3.5 |
-3.5 |
Mean value log POW |
<-3.4 |
Applicant's summary and conclusion
- Conclusions:
- According to OECD Test Guideline 107 and EC No. 440/2008 Part A. Method A.8. the partition coefficient at 20 °C of test item 7-Aminocephalosporanic acid was determined to be:
log POW = < -3.4
POW = < 0.0004 - Executive summary:
Before starting the main test for the determination of the partition coefficient the solvents n-Octanol, pre-saturated with distilled water, and distilled water, pre-saturated with n-Octanol, were prepared. Therefore 900 mL n-Octanol were shaken with 100 mL distilled water and 900 mL distilled water were shaken with 100 mL n-Octanol in a shaking apparatus for 24 h.
For the main test a stock solution of the test item in distilled water, pre-saturated with n-Octanol, was prepared. Therefore 59.39 mg of the test item were dissolved with 200 mL distilled water, pre-saturated with n-Octanol, at a temperature of 30°C.
From this stock solution 20 mL were added to six separating funnels. Different volumes of distilled water, pre-saturated with n-Octanol, and n-Octanol, pre-saturated with distilled water, were also added to the separating funnels (seeTable1).
Table1: Composition in the separation funnels
Test
V (stock solution) [mL]
V (H2O) [ml]
V (n-Octanol) [mL]
1a
20
20
40
1b
20
20
40
2a
20
40
20
2b
20
40
20
3a
20
--
40
3b
20
--
40
After adding the solvents the separating funnels were shaken for ten minutes with the shaking apparatus. After separating the phases in the funnels, both phases were removed from the funnels. Approximately 10 mL of each phase were centrifuged for 30 minutes at 20 °C with 15000 rpm.
The pH values of the aqueous phases were measured.
For the determination of the test item concentrations in the phases by means of HPLC samples of the aqueous phases were diluted from 1 mL to 25 mL with the eluent. The Octanol phases were injected undiluted.
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