Reaction mass of (4R)-isopropenyl-1-methylcyclohexene and (4S)-isopropenyl-1-methylcyclohexene and 1-isopropyl-4-methylcyclohexa-1,3-diene and 1-isopropyl-4-methylcyclohexa-1,4-diene and 4-isopropylidene-1-methylcyclohexene

Water solubility

Link to relevant study record(s)

Reference

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 DL-LIMONENE, ALPHA- GAMMA- TERPINENES, TERPINOLENE. Therefore, data on d-limonene can be used for extrapolation to REACTION MASS OF DL-LIMONENE, ALPHA- GAMMA- TERPINENES, TERPINOLENE. See read-across justification document in section 13.

Reason / purpose for cross-reference:

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

Water solubility of d-limonene : 5.69 mg/L (25°C).

Key value for chemical safety assessment

Water solubility:

5.69 mg/L

at the temperature of:

25 °C

Additional information

The water solubility of d-limonene was measured according to the OECD 105 / EU A6 guidelines, by a slow-stirring method.

Two independent experiments were performed and the mean result was retained.

The mean of the two solubility values obtained in the two different experiments is (5.66+5.71) / 2 = 5.69 mg/L

The water solubility of d-limonene using the slow stirring method was determined as 5.69 mg/L at room temperature (pH=4).