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Physical & Chemical properties

Solubility in organic solvents / fat solubility

Administrative data

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

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: OECD 105 Shake Flask Method
GLP compliance:
yes (incl. QA statement)

Test material

Constituent 1
Chemical structure
Reference substance name:
Pidolic acid
EC Number:
202-700-3
EC Name:
Pidolic acid
Cas Number:
98-79-3
Molecular formula:
C5H7NO3
IUPAC Name:
(2S)-5-oxopyrrolidine-2-carboxylic acid
Test material form:
solid: particulate/powder
Details on test material:
white solid crystalline powder
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

Results and discussion

Solubility in organic solvents / fat solubilityopen allclose all
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

Any other information on results incl. tables

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).

Applicant's summary and conclusion

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.