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Water solubility

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Endpoint:
water solubility
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
supporting study
Justification for type of information:
D-Limonene is one of the main constituents of multiconstituent substance REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. Therefore, data on d-limonene can be used for extrapolation to REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. See read-across justification document in section 13.
Reason / purpose:
read-across source
Key result
Water solubility:
3.99 mg/L
Temp.:
20 °C
pH:
5
Remarks on result:
other: The relative difference between the results of the two experiments is 1.25%, less than 30% as required by the OECD 105 - elution column method.
Details on results:
Mean of two solubility values obtained in two different experiments.
Concentrations observed at 25 mL/h: mean of the five last samples = 4.01 mg/L (RSD = 5.53% : less than 30% as required by the OECD 105 - elution column method)
Concentrations observed at 12.5 mL/h: mean of the five last samples = 3.96 mg/L (RSD = 12.90 % : less than 30% as required by the OECD 105 - elution column method)

Preliminary test

The approximate solubility determined by the preliminary test was lower than 100 mg/L.

First experiment at a flow rate of 25 mL/h

The concentrations obtained as a function of time during this first experiment at 25 mL/h are presented in graph 1 : "Concentrations observed at 25 mL/h"

Measured pH :

-       at the beginning of the experiment : 5

-       at the end of the experiment : 7

The mean ± standard deviation of the five last samples is 4.01 ± 0.22 mg/L. (RSD = 5.53% : less than 30% as required by the OECD 105 - elution column method)

 

The maximum difference observed in the five last samples is

           4.22 - 3.65 = 0.57 mg/L

 

The mean of these two maximum values is

           (4.22 + 3.65) / 2 = 3.94 mg/L

 

The relative difference, corresponding to the ratio of the maximum difference and the mean of the two maximum values is

           0.57 / 3.94 = 14.47 %

 

The five last sample concentrations do not differ by more than ± 30%, which means that equilibrium was established.

Second experiment at a flow rate of 12.5 mL/h

The concentrations obtained as a function of time during this second experiment are presented in graph 2 : "Concentrations observed at 12.5 mL/h".

Measured pH :

-       at the beginning of the experiment : 5

-       at the end of the experiment : 7

 

The mean ± standard deviation of the five last samples is 3.96 ± 0.51 mg/L. (RSD = 12.90 % : less than 30% as required by the OECD 105 - elution column method)

 

The maximum difference observed in the five last samples is

           4.41 – 3.36 = 1.05 mg/L

 

The mean of these two maximum values is

           (4.41 + 3.36) / 2 = 3.89 mg/L

 

The relative difference, corresponding to the ratio of the maximum difference and the mean of the two maximum values is

1.05 / 3.89 = 26.99 %

 

The five last sample concentrations do not differ by more than ± 30%, which means that equilibrium was established.

Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The mean of the two solubility values obtained in the two different experiments is: (4.01 + 3.96) / 2 = 3.99 mg/L
The relative difference between the results of the two experiments is: (4.01 – 3.96) / 3.99 = 1.25 %
The mean values obtained from two experiments did not differ by more than 30%, so these results are valid.
Executive summary:

The determination of the water solubility of D-LIMONENE was performed using the column elution method (OECD Guideline 105).

Due to the physicochemical properties of the test item (stability, volatility, adsorption on glass), the samples were analyzed as soon as possible after sampling. This precaution is crucial in order to avoid underestimation and variations of the measured concentrations.

Two independent experiments were carried out. The concentration of the substance was regularly measured by HPLC-UV (High Performance Liquid Chromatography with UV detector). The water solubility was recorded when the concentration reached a plateau.

The water solubility of D-LIMONENE is 3.99 mg/L This value is the mean of two independent measurements.

Endpoint:
water solubility
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
supporting study
Justification for type of information:
D-Limonene is one of the main constituents of multiconstituent substance REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. Therefore, data on d-limonene can be used for extrapolation to REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. See read-across justification document in section 13.
Reason / purpose:
read-across source
Key result
Water solubility:
5.69 mg/L
Temp.:
20 °C
pH:
5
Remarks on result:
other: Mean of two solubility values obtained in two different experiments.
Details on results:
First experiment : mean of the five last samples = 5.71 mg/L (RSD = 5.56% : less than 15% as required by the OECD 105 - flask method)
Second experiment : mean of the five last samples = 5.66 mg/L (RSD = 5.70% : less than 15% as required by the OECD 105 - flask method)

Preliminary test

The approximate solubility determined by the preliminary test was lower than 100 mg/L.

First experiment

The concentrations obtained as a function of time during this first experiment are presented in graph 1 : "Concentrations observed- first experiment"

Measured pH :

-       at the beginning of the experiment : 5

-       at the end of the experiment : 5

The mean ± standard deviation of the five last samples is 5.71 ± 0.32 mg/L.(RSD = 5.56% : less than 15% as required by the OECD 105 - flask method)

 

The maximum difference observed in the five last samples is

           6.04 - 5.24 = 0.80 mg/L

 

The mean of these two maximum values is

           (6.04 + 5.24) / 2 = 5.64 mg/L

 

The relative difference, corresponding to the ratio of the maximum difference and the mean of the two maximum values is

           0.80 / 5.64 = 14.18 %

 

Second experiment

The concentrations obtained as a function of time during this second experiment are presented in graph 2 : "Concentrations observed- second experiment".

Measured pH :

-       at the beginning of the experiment : 5

-       at the end of the experiment : 5

 

The mean ± standard deviation of the five last samples is 5.66 ± 0.32 mg/L (RSD = 5.70% : less than 15% as required by the OECD 105 - flask method)

 

The maximum difference observed in the five last samples is

           6.06 – 5.40 = 0.66 mg/L

 

The mean of these two maximum values is

           (6.06 + 5.40) / 2 = 5.73 mg/L

 

The relative difference, corresponding to the ratio of the maximum difference and the mean of the two maximum values is

0.66 / 5.73 = 11.52 %

 

Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The mean of the solubility values obtained in the two different experiments is: (5.66 + 5.71) / 2 = 5.69 mg/L
The relative difference between the results of the two experiments is: (5.71 – 5.66) / 5.69 = 0.88 %
Executive summary:

The determination of the water solubility of D-Limonene was performed using the slow stirring method adapted from OECD 123 guideline. Due to the physicochemical properties of the test item (stability, volatility, adsorption on glass), the samples were analyzed as soon as possible after sampling. This precaution is crucial in order to avoid underestimation and variations of the measured concentrations.

Two independent experiments were carried out. The concentration of the substance was regularly measured by HPLC-UV (High Performance Liquid Chromatography with UV detector). The water solubility was recorded when the concentration reached a plateau.

The water solubility of D-LIMONENE is 5.69 mg/L. This value is the mean of two independent measurements.

Description of key information

Experimental data are available on the water solubility of d-limonene, that is one of the main constituents of the registered substance.

The water solubility of d-limonene obtained by the column elution method is 3.99 mg/L.

The water solubility of d-limonene obtained by the slow-stirring method is 5.69 mg/L.

The water solubility of d-limonene retained as key value for chemical safety assessment is 5.69 mg/L.

Key value for chemical safety assessment

Water solubility:
5.69 mg/L
at the temperature of:
25 °C

Additional information

Experimental data are available on d-limonene, one of the main constituent of the registered substance.

A study was performed to measure the water solubility of d-limonene with the slow-stirring method and the column elution method according to OECD guidelines 105 and 123.

The result was considered with a reliability of 2 (reliable with restrictions) because it is scientifically acceptable but not obtained under GLP and some details were lacking in the report.

The value considered as key value for the chemical safety assessment is 4.84 mg/L.