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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
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- July 24, 2012 to October 26, 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Comparable to guideline study (OECD109) 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 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- flask method
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
Results and discussion
Water solubility
- Water solubility:
- 611 mg/L
- Temp.:
- 20 °C
Any other information on results incl. tables
For the main test three flasks were prepared with an amount of test item and water, and one flask only with water. After stirring and centrifugation the aqueous phases were measured by means of HPLC. The solution of each flask has been measured twice. The results of these measurements are shown inTable4. The values represented in the table are rounded values. The calculation was carried out with the original not rounded values.
Table4: Results of the flask method
flask |
1a |
2a |
3a |
4a |
measured value [mg/L] |
6.16 / 6.11 |
6.30 / 6.28 |
5.91 / 5.90 |
0 / 0 |
aliquot of the flask [mL] |
0.5 |
0.5 |
0.5 |
0.5 |
total volume after the 1stdilution [mL] |
25 |
25 |
25 |
25 |
aliquot of the 1stdilution [mL] |
1 |
1 |
1 |
1 |
total volume after the 2nddilution [mL] |
2 |
2 |
2 |
2 |
water solubility [mg/L] |
615.8 / 610.5 |
629.9 / 627.6 |
590.6 / 589.6 |
0 / 0 |
average water solubility [mg/L] |
613.2 |
628.7 |
590.1 |
0 |
mean value of the water solubility [mg/L] |
610.7 |
|||
standard deviation [mg/L] |
19.4 |
|||
relative standard deviation [%] |
3.2 |
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): moderately soluble (100-1000 mg/L)
According to OECD Test Guideline 105 and EC No. 440/2008 Part A. Method A.6. the water solubility at 20 °C of test item 7-Aminocephalosporanic acid was determined to be:
cS = 611 mg/L
RSD = 3.2 % - Executive summary:
The quantity of test item necessary to saturate the desired volume of water was estimated from the preliminary test to be 1.01 g/L at most. About five times that quantity were weighed into each of three flasks fitted with glass stoppers (seeTable1). After addition of 100 ml of distilled water to each flask the flasks were stirred at 30 °C for different periods of time (24, 48 and 72 h).
After stirring at 30 °C the flasks were cooled down to 20 °C and stirred at 20 °C for further 24 h. After 24 h stirring time the contents of the flasks were centrifuged for 30 min at 20 °C with 15000 rpm.
For the analytical measurement by means of HPLC the centrifuged clear aqueous phases were diluted from 0.5 ml to 25 ml and again 1:1 with the eluent.
One additional flask was prepared as blank measurement. Therefore distilled water was added to the flask, stirred for 72 h at 30 °C and treated like the other samples.
The masses and stirring times for the four flasks are shown inTable1.
Table1: Flask method for the determination of the water solubility
flask
1a
2a
3a
4a
mass [g]
5.03
5.04
5.04
--
stirring time at 30°C [h]
72
48
24
72
stirring time at 20°C [h]
24
24
24
24
pH value
3.8
3.7
3.8
6.5
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