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EC number: 202-700-3 | CAS number: 98-79-3
Solubility in organic solvents / fat solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- solubility in organic solvents / fat solubility
- 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:
- other: OECD 105 Shake Flask Method
- GLP compliance:
- yes (incl. QA statement)
- 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)
Recieved on: 8th November 2016
DNAL Sample Numbers: DNA3730/1-2
Reference Standard: (S)-(-)-2-Pyrrolidinone-5-carboxylic acid reference standard
Received on: 6th January 2017 - Key result
- Medium:
- acetone
- Solubility:
- ca. 0.313 g/L
- Temp.:
- 20 °C
- Key result
- Medium:
- methanol
- Solubility:
- ca. 250.7 g/L
- Temp.:
- 20 °C
- Conclusions:
- According to the results obtained in this test, Sample DNA3 730/1 (Acid Source) (2S)-5-oxopyrrolidine-2-carboxylic acid Technical Material the mean Methanol solubility is 250.7g/L at 20°C and the mean Acetone solubility is 0.3130g/L at 20°C.
Reference
Solubility in Methanol Results
| Description | Raw Data File | Retention Time (minutes) | Unit Area | Response Factor | Concentration (mg/mL) | Concentration (g/L) | Sample Comments |
| 0.25mg/mL L-PCA | L1603S25 | 5.06 | 1993.4 | 0.000126 | |||
DNA3730/1A MeOH Low 24hr |
L1603M1 | 5.12 | 763.03 | 0.09623 | 96.23 | Unsaturated | |
DNA3730/1A MeOH Low 48hr |
L1603M2 | 5.12 | 724.56 | 0.09138 | 91.38 | Unsaturated | |
DNA3730/1A MeOH Low 72hr |
L1603M3 | 5.13 | 709.05 | 0.08942 | 89.42 | Unsaturated | |
| 0.25mg/mL L-PCA | L1603S26 | 5.08 | 1971.3 | 0.000126 | Mean of three results | 92.34 | |
DNA3730/1B MeOH Mid 24hr |
L1603M4 | 5.07 | 1908.6 | 0.24106 | 241.1 | Saturated | |
DNA3730/1B MeOH Mid 48hr |
L1603M5 | 5.08 | 1676.4 | 0.21174 | 211.7 | Saturated | |
DNA3730/1B MeOH Mid 72hr |
L1603M6 | 5.08 | 1661.1 | 0.20981 | 209.8 | Saturated | |
| 0.25mg/mL L-PCA | L1603S27 | 5.08 | 1987.4 | 0.000126 | Mean of three results | 220.9 | |
DNA3730/1C MeOH Mid 24hr |
L1603M7 | 5.08 | 2007.8 | 0.25208 | 252.1 | Saturated | |
DNA3730/1C MeOH Mid 48hr |
L1603M8 | 5.07 | 2352.2 | 0.29532 | 295.3 | Saturated | |
0.25mg/mL L-PCA |
L1603S28 | 5.09 | 1995.0 | ||||
| 0.25mg/mL L-PCA | L2103S20 | 5.11 | 2050.7 | 0.000122 | |||
DNA3730/1A MeOH Mid 72hr |
L2103M1 | 5.09 | 2405.1 | 0.29387 | 293.9 | Saturated | |
| 0.25mg/mL L-PCA | L2103S21 | 5.11 | 2041.5 | Mean of three results: | 280.4 | ||
| Overall mean saturation: | 250.7 |
Solubility in Acetone Results
| Description | Raw Data File | Retention Time (minutes) | Unit Area | Response Factor | Concentration (mg/mL) | Concentration (g/L) | Sample Comments |
| 0.05mg/mL L-PCA | L2103S16 | 5.18 | 444.46 | 0.000113 | |||
DNA3730/1A Acetone Low 24hr |
L2103A1 | 5.22 | 179.85 | 0.02040 | 0.2040 | Unsaturated | |
DNA3730/1A Acetone Low 48hr |
L2103A2 | 5.22 | 169.14 | 0.01919 | 0.1919 | Unsaturated | |
DNA3730/1A Acetone Low 72hr |
L2103A3 | 5.22 | 180.20 | 0.02044 | 0.2044 | Unsaturated | |
| 0.05mg/mL L-PCA | L2103S17 | 5.19 | 437.13 | 0.000114 | Mean of three results: | 0.2001 | |
DNA3730/1B Acetone Low 24hr |
L2103A4 | 5.21 | 277.17 | 0.03157 | 0.3157 | Saturated | |
DNA3730/1B Acetone Low 48hr |
L2103A5 | 5.21 | 271.07 | 0.03087 | 0.3087 | Saturated | |
DNA3730/1B Acetone Low 72hr |
L2103A6 | 5.20 | 288.18 | 0.03282 | 0.3282 | Saturated | |
| 0.05mg/mL L-PCA | L2103S18 | 5.19 | 440.86 | 0.000113 | Mean of three results: | 0.3175 | |
DNA3730/1C Acetone Low 24hr |
L2103A7 | 5.21 | 266.20 | 0.02997 | 0.2997 | Saturated | |
DNA3730/1C Acetone Low 48hr |
L2103A8 | 5.21 | 264.18 | 0.02974 | 0.2974 | Saturated | |
DNA3730/1C Acetone Low 72hr |
L2103A9 | 5.20 | 291.84 | 0.03285 | 0.3285 | Saturated | |
| 0.05mg/mL L-PCA | L2103S19 | 5.19 | 447.45 | Mean of three results: | 0.3085 | ||
| Overall mean saturation: | 0.3130 |
Response Factor= 0.05/ Mean Standard Unit Area
Concentration (mg/mL) =Response Factor x Unit Area Factor (mg/mL)
Concentration (g/L) =Concentration (mg/mL) x Dilution Factor x (Standard Purity/100)
Dilution Factor = 1: 10 with Acetonitrile
Standard Purity = 100%
Only Saturated Samples of (2S)-5-oxopyrrolidine-2-carboxylic acid Technical Material were used to calculate the Overall Mean Saturation Concentration (g/L).
Description of key information
The mean Methanol solubility is 250.7g/L at 20°C and the mean Acetone solubility is 0.3130g/L at 20°C.
Key value for chemical safety assessment
Additional information
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