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EC number: 202-700-3 | CAS number: 98-79-3
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- The experimental work associated with this study was carried out between 11 November 2016 and 22 March 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Test substances: (2S)-5-oxopyrrolidine-2-carboxylic acid Technical Materials
Acid Source: (2S)-5-oxopyrrolidine-2-carboxylic acid (Acid Source)
Salt Source: (2S)-5-oxopyrrolidine-2-carboxylic acid (Potassium Salt)
Received on: 8th November 2016
DNAL Sample Numbers: DNA3730/1-2
Reference Standard: (S)-(-)-2-Pyrrolidinone-5-carboxylic acid reference standard
Received on: 61h January 2017 - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. -1.234
- Temp.:
- 20 °C
- pH:
- ca. 4
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. -1.233
- Temp.:
- 20 °C
- pH:
- ca. 7
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. -1.211
- Temp.:
- 20 °C
- pH:
- ca. 9
- Conclusions:
- According to the results obtained in this test, the mean Partition Coefficient of 1-0ctanol and Water of (2S)-5-oxopyrrolidine-2-carboxylic acid has a Log POW of -1.234 (20°C. and pH4); Log POW of -1.233 (20°C and pH7) and Log POW of -1.211 (20°C and pH9).
Reference
Partition Coefficient in 1-0ctanol/Water at 20°C Results
Description | Raw Data File | Retention Time (mins) | Unit Area | Response Factor | Concentration (mg/mL) | Concentration (g/L) | Pow | log Pow |
0.25mg/mL L-PCA | LS2103S9 | 5.08 | 2011.1 | 0.000124 | ||||
L-PCA Ref Standard Partition pH4 low Oct | L2103P1 | 5.16 | 404.93 | 0.05024 | 0.5024 | 0.05725 | -1.242 | |
L-PCA Ref Standard Partition pH4 mid Oct | L2103P2 | 5.14 | 598.31 | 0.07424 | 0.7424 | 0.05652 | -1.248 | |
L-PCA Ref Standard Partition pH4 high Oct | L2103P3 | 5.12 | 859.59 | 0.10666 | 1.0666 | 0.06204 | -1.207 | |
0.25mg/mL L-PCA | LS2103S10 | 5.08 | 2018.6 | 0.000124 | Mean of three results: | -1.232 | ||
L-PCA Ref Standard Partition pH7 low Oct | L2103P4 | 5.16 | 407.28 | 0.05031 | 0.5031 | 0.05874 | -1.231 | |
L-PCA Ref Standard Partition pH7 mid Oct | L2103P5 | 5.14 | 599.36 | 0.07404 | 0.7404 | 0.05807 | -1.236 | |
L-PCA Ref Standard Partition pH7 high Oct | L2103P6 | 5.13 | 830.45 | 0.10259 | 1.0259 | 0.05902 | -1.229 | |
0.25mg/mL L-PCA | LS2103S11 | 5.08 | 2029.0 | 0.000124 | Mean of three results: | -1.232 | ||
L-PCA Ref Standard Partition pH9 low Oct | L2103P7 | 5.16 | 415.08 | 0.05127 | 0.5127 | 0.06118 | -1.213 | |
L-PCA Ref Standard Partition pH9 mid Oct | L2103P8 | 5.14 | 643.81 | 0.07952 | 0.7952 | 0.06118 | -1.213 | |
L-PCA Ref Standard Partition pH9 high Oct | L2103P9 | 5.12 | 854.64 | 0.10556 | 1.0556 | 0.06206 | -1.207 | |
0.25mg/mL L-PCA | LS2103S12 | 5.08 | 2019.3 | 0.000124 | Mean of three results: | -1.211 | ||
L-PCA Ref Standard Partition pH4 low Wat | L2103P10 | 5.13 | 710.60 | 0.008776 | 8.776 | |||
L-PCA Ref Standard Partition pH4 mid Wat | L2103P11 | 5.11 | 1071.4 | 0.13232 | 13.232 | |||
L-PCA Ref Standard Partition pH4 high Wat | L2103P12 | 5.10 | 1392.1 | 0.17257 | 17.257 | |||
0.25mg/mL L-PCA | LS2103S13 | 5.09 | 2029.3 | 0.000123 | ||||
L-PCA Ref Standard Partition pH7 low Wat | L2103P13 | 5.14 | 700.93 | 0.08635 | 8.636 | |||
L-PCA Ref Standard Partition pH7 mid Wat | L2103P14 | 5.12 | 1034.9 | 0.12750 | 12.750 | |||
L-PCA Ref Standard Partition pH7 high Wat | L2103P15 | 5.10 | 1411.0 | 0.17383 | 17.383 | |||
0.25mg/mL L-PCA | LS2103S14 | 5.09 | 2029.2 | 0.000124 | ||||
L-PCA Ref Standard Partition pH9 low Wat | L2103P16 | 5.14 | 677.46 | 0.08380 | 8.3801 | |||
L-PCA Ref Standard Partition pH9 mid Wat | L2103P17 | 5.12 | 1050.7 | 0.12997 | 12.997 | |||
L-PCA Ref Standard Partition pH9 high Wat | L2103P18 | 5.10 | 1374.9 | 0.17008 | 17.008 | |||
0.25mg/mL L-PCA | LS2103S15 | 5.09 | 2012.9 |
Where for the n-Octanol Partition Samples:
Response Factor= 0.25/ Mean Standard Unit Area
Concentration (mg/mL) =Response Factor x Unit Area
Concentration (g/L) =Concentration (mg/mL) x Dilution Factor x (Standard Purity/100)
Standard Purity= 100%
Dilution Factor= 1: 10
Where for the Water Partition Samples:
Response Factor= 0.25/ Mean Standard Unit Area
Concentration (mg/mL) =Response Factor x Unit Area
Concentration (g/L) =Concentration (mg/mL) x Dilution Factor x (Standard Purity/I 00)
Standard Purity = 100%
Dilution Factor= 1: 10 then 1: 10
Where:
Pow= n-Octanol Concentration (g/L)/ Water Concentration (g/L)
Log Pow = Log (Pow)
Description of key information
The mean Partition Coefficient of 1-0ctanol and Water of (2S)-5-oxopyrrolidine-2-carboxylic acid has a Log POW of -1.234 (20°C. and pH4); Log POW of -1.233 (20°C and pH7) and Log POW of -1.211 (20°C and pH9).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.233
- at the temperature of:
- 20 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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