Pidolic acid

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water 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:

OECD Guideline 105 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

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: 6th January 2017

Key result

Water solubility:

ca. 520.6 g/L

Temp.:

20 °C

pH:

ca. 4

Key result

Water solubility:

ca. 549.9 g/L

Temp.:

20 °C

pH:

ca. 7

Key result

Water solubility:

ca. 517.9 g/L

Temp.:

20 °C

pH:

ca. 9

Solubility in pH 4 Water at 20 deg C Results

Only saturated samples of the reference substance were used to calculate the overall mean saturation concentration (g/L).

Description	Raw Data File	Retention Time (minutes)	Unit Area	Response Factor	Concentration (mg/L)	Concentration (g/L)	Sample Comments
0.25mg/mL L-PCA	L1603S14	5.12	2020.9	0.000123
L-PCA Ref Standard pH4 Low 24hr	L1603W1	5.07	3468.2		0.4267	426.7	Unsaturated
L-PCA Ref Standard pH4 Low 48hr	L1603W2	5.06	3468.7		0.4268	426.8	Unsaturated
L-PCA Ref Standard pH4 Low 72hr	L1603W3	5.06	3533.2		0.4347	434.7	Unsaturated
0.25mg/mL L-PCA	L1603S15	5.12	2043.0		Mean of 3 results:	429.4
0.5mg/mL L-PCA	L1603S18	5.05	3832.4	0.000132
L-PCA Ref Standard pH4 Low 24hr	L1603W10	5.04	3794.8		0.4992	499.2	Saturated
L-PCA Ref Standard pH4 Low 48hr	L1603W11	5.00	3841.5		0.5054	505.4	Saturated
L-PCA Ref Standard pH4 Low 72hr	L1603W12	5.01	3966.5		0.5218	521.8	Saturated
0.5mg/mL L-PCA	L1603S19	5.02	3769.0		Mean of three results:	508.8
0.5mg/mL L-PCA	L1603S21	5.01	3967.2	0.000126
L-PCA Ref Standard pH4 Low 24hr	L1603W19	4.99	4384.4		0.5546	554.6	Saturated
L-PCA Ref Standard pH4 Low 48hr	L1603W20	4.99	4315.2		0.5548	554.8	Saturated
L-PCA Ref Standard pH4 Low 72hr	L1603W21	5.00	3928.5		0.4969	496.9	Saturated
0.5mg/mL L-PCA	L1603S22	5.00	3938.5		Mean of three results:	532.5
					Overall mean saturation:	520.6

Solubility in pH 7 Water at 20 deg C Results

Only saturated samples of the reference substance were used to calculate the overall mean saturation concentration (g/L).

Description	Raw Data File	Retention time (minutes)	Unit Area	Response Factor	Concentration (mg/mL)	Concentration (g/L)	Sample Comments
0.25mg/mL L-PCA	L1603S15	5.12	2043.0	0.000123
L-PCA Ref Standard pH7 Low 24hr	L1603W4	5.06	3517.0		0.4318	431.8	Unsaturated
L-PCA Ref Standard pH7 Low 48hr	L1603W5	5.06	3570.8		0.4384	438.4	Unsaturated
L-PCA Ref Standard pH7 Low 72hr	L1603W6	5.05	3664.1		0.4499	449.9	Unsaturated
0.25mg/mL L-PCA	L1603S16	5.11	2029.2		Mean of three results:	440.1
0.50mg/mL L-PCA	L1603S19	5.02	3769.0	0.000130
L-PCA Ref Standard pH7 Low 24hr	L1603W13	5.00	4135.4		0.5372	537.2	Saturated
L-PCA Ref Standard pH7 Low 48hr	L1603W14	5.00	4164.0		0.5409	540.9	Saturated
L-PCA Ref Standard pH7 Low 72hr	L1603W15	5.01	4063.5		0.5279	527.9	Saturated
0.50mg/mL L-PCA	L1603S20	5.01	3928.9		Mean of three results:	535.3
0.50mg/mL L-PCA	L1603S22	5.00	3938.5	0.000127
L-PCA Ref Standard pH7 Low 24hr	L1603W22	4.98	4536.3		0.5762	576.2	Saturation
L-PCA Ref Standard pH7 Low 48hr	L1603W23	4.98	4486.8		0.5699	569.9	Saturation
L-PCA Ref Standard pH7 Low 72hr	L1603W24	4.99	4310.8		0.5475	547.5	Saturation
0.50mg/mL L-PCA	L1603S23	5.00	3934.7		Mean of three results:	564.5
					Overall mean saturation:	549.9

Solubility in pH 9 Water at 20 deg C Results

Only saturated samples of the reference substance were used to calculate the overall mean saturation concentration (g/L).

Description	Raw Data File	Retention time (minutes)	Unit Area	Response Factor	Concentration (mg/mL)	Concentration (g/L)	Sample Comments
0.25mg/mL L-PCA	L1603S16	5.11	2029.2	0.000124
L-PCA Ref Standard pH9 Low 24hr	L1603W7	5.06	3428.4		0.4259	425.9	Unsaturated
L-PCA Ref Standard pH9 Low 48hr	L1603W8	5.05	3499.0		0.4347	434.7	Unsaturated
L-PCA Ref Standard pH9 Low 72hr	L1603W9	5.06	3315.8		0.4119	411.9	Unsaturated
0.25mg/mL L-PCA	L1603S17	5.11	1995.5		Mean of three results:	424.2
0.50mg/mL L-PCA	L1603S19	5.02	3769.0	0.000130
L-PCA Ref Standard pH9 Low 24hr	L1603W13	5.00	4135.4		0.5372	521.5	Saturated
L-PCA Ref Standard pH9 Low 48hr	L1603W14	5.00	4164.0		0.5409	498.3	Saturated
L-PCA Ref Standard pH9 Low 72hr	L1603W15	5.01	4063.5		0.5279	531.0	Saturated
0.50mg/mL L-PCA	L1603W20	5.01	3928.9		Mean of three results:	516.9
0.50mg/mL L-PCA	L1603W23	5.00	3934.7	0.000126
L-PCA Ref Standard pH9 Low 24hr	L1603W25	4.98	4427.2		0.5629	562.9	Saturated
L-PCA Ref Standard pH9 Low 48hr	L1603W26	5.00	3867.9		0.4918	491.8	Saturated
L-PCA Ref Standard pH9 Low 72hr	L1603W27	5.00	3948.3		0.5020	502.0	Saturated
0.50mg/mL L-PCA	L1603W24	5.01	3930.5		Mean of three results:	518.9
					Overall mean saturation:	517.9

Conclusions:

No significant deviation was recorded in this part of the study.

According to the results obtained in this test the overall mean water solubility is: 520.6g/L (pH4 at 20 deg C)
According to the results obtained in this test the overall mean water solubility is: 549.9g/L (pH7 at 20 deg C)
According to the results obtained in this test the overall mean water solubility is: 517.9g/L (pH9 at 20 deg C)

Description of key information

The overall mean water solubility is: 520.6g/L (pH4 at 20 deg C), 549.9g/L (pH7 at 20 deg C), and 517.9g/L (pH9 at 20 deg C).

Key value for chemical safety assessment

Water solubility:

549.9 g/L

at the temperature of:

20 °C