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EC number: 236-910-1 | CAS number: 13537-82-1
- 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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- This study was conducted between 29 December 2016 and 22 February 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The study is considered to be a reliability 1 as it has been conducted according to OECD TG 105 using the flask method and in compliance with GLP.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 27 July 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- EC No. 440/2008 of 30 May 2008
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Specific details on test material used for the study:
- Identification: FRET 13-0545
IUPAC Name Ethyl 4-methyl-2-oxocyclohexanecarboxylate
CAS no 13537-82-1
CAS Name Cyclohexanecarboxylic acid, 4-methyl-2-oxo-, ethyl ester
Molecular formula C10H16O3
Appearance/Physical state: Clear colorless liquid
Batch: PDJ 378-68
IPC number NA
Purity: 93.2% (range >90%)
Structure (Main Constituent)
Expiry date: 30 June 2018
Storage conditions: Approximately 4 °C, in the dark - Key result
- Water solubility:
- 2.56 g/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 1.006 g/L
- Incubation duration:
- 78 h
- Temp.:
- 20 °C
- pH:
- > 5.1 - < 5.6
- Details on results:
- Preliminary Test
The preliminary estimate of water solubility was 1.60 g/L at 20.0 °C. - Conclusions:
- The water solubility of FRET 13-0545 has been determined to be 2.56 g/L of solution at 20.0 ± 0.5 °C
- Executive summary:
The water solubility of FRET 130545 was determined to be 2.56 g/L @ 20 °C using OECD TG 105 and according to GLP, using the flask method.
Reference
Definitive test:
The mean peak areas relating to the standard and sample solutions are shown in the following table:
Table 1
Solution Mean peak area
Standard 85.2 mg/L 8.0332 x 10^5
Standard 79.2 mg/L 8.6178 x 10^5
Blank None detected
Sample 1A 1.2298 x 10^6
Sample 1B 1.3214 x 10^6
Sample 2A 1.2570x 10^6
Sample 2B 1.4535 x 10^6
Sample 3A 1.2395 x 10^6
Sample 3B 0.3100 x 10^6
The concentration (g/l) of test material in the sample solutions is shown in the table below.
Sample number Time shaken at ~ 30 ºC (hours) Time equilibrated at 20 ºC (hours) Concentration (g/L) Average Concentration (g/L) Solution pH
1A 24 26 2.42 2.51 5.6
1B 24 26 2.60
2A 48 26 2.48 2.67 5.3
2B 48 26 2.86
3A 72 26 2.44 2.51 5.1
3B 72 26 2.58
Mean concentration : 2.56 g/L at 20.0 ± 0.5 ºC
Range : 2.42 to 2.86 g/L
Standard Deviation : 0.164 gL
Validation
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 40 to 160 mg/L. The results were satisfactory with a correlation coefficient (r) of 0.995 being obtained.
Recovery of analysis of the sample procedure was assessed and proved acceptable for the test.
At a nominal concentration of 1.60 x 10^3 mg/L, a mean percentage recovery of 90.0 % was obtained (range 77.7 to 97.5%).
Concentrations have not been corrected for recovery of analysis.
Description of key information
The water solubility of FRET 13 -0545 was determined to be 2.56 g/L @ 20°C using OECD TG 105 using the flask method.
Key value for chemical safety assessment
- Water solubility:
- 2.56 g/L
- at the temperature of:
- 20 °C
Additional information
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