Hydrocarbons, C5-rich

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

08/12/2008 - 08/04/2009

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP compliant, guideline study, experimental study. No restrictions, fully adequate for assessment

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

yes

Remarks:

An equilibrium temperature of 23 °C (ambient temperature) was used rather than 30°C to reduce the risk of evaporation of a significant fraction of the test item constituents

GLP compliance:

yes

Type of method:

flask method

Water solubility:

ca. 59 mg/L

Temp.:

20 °C

pH:

7

Water solubility:

ca. 71 mg/L

Temp.:

20 °C

pH:

7

Details on results:

Solubility in water slightly increases with the mass of test item applied in the experiment, due to the test item being a mixture of aromatic hydrocarbons not a single compound. Each constituent will contribute to the overall solubility, depending on its individual solubility and its mass in the test fraction. Therefore two values for solubility are provided, ca. 59 mg/L for tests with ca. 4.5 g test item per one litre of water and ca. 71 mg/L for tests with ca. 47 g of test item per one litre of water. Test pH not stated, but asssumed to be 7.

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
Solubility in water increases with the mass of test substance applied in the experiment. Solubility is calculated as ca. 59 mg/L for tests with ca. 4.5 g test item per one litre of water and ca. 71 mg/L for tests with ca. 47 g test item per one litre of water.

Executive summary:

The study is GLP compliant and carried out to a standard guideline, therefore the data is considerd reliable. Solubility is calculated as ca. 59 mg/L for tests with ca. 4.5 g test item per one litre of water and ca. 71 mg/L for tests with ca. 47 g test item per one litre of water.

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

06/06/2007 - 16/10/2007

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: GLP compliant, guideline study, available as unpublished report, minor restrictions but otherwise adequate for assessment

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Water solubility:

52 mg/L

Temp.:

20 °C

pH:

6.1 - 6.8

Details on results:

Reported as 52 ± 12 mg/L

The preliminary test indicated that the water solubility of the test item is <40mg/l (20mg of test item were not completely dissolved in 500ml water after 3 days stirring). The flask method was therefore used for the main study. The test temperature was decreased from 30°C to 23°C to avoid evaporation of the test substance. Two test concentrations were used 0.5g and 5g test substance and stirred for 24, 48 and 72 hours. The concentration of dissolved test item decreased over time, and concentrations varied by more than 15% in the last two vessels at both test concentrations. The pH ranged from 6.1-6.8 over the test period.

The authors note that as the test substance is not a pure compound but a mixture of compounds the water solubilities of individual fractions may vary.

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The water solubility of 68476-55-1 is 52±12 mg/L.

Executive summary:

This study was conducted to a standard guideline and according to GLP. However, the concentrations of dissolved test substance measured after 48 and 72 hours differs by more than 15% so the test is not considered fully valid. The water solubility of 68476-55-1 is 52±12 mg/L.

Description of key information

The water solubility for streams in this category ranges from to 52 - 71 mg/L.

Key value for chemical safety assessment

Water solubility:

60.6 mg/L

at the temperature of:

20 °C

Additional information

Data from GKA Competence Centre Analytics (2008, 2008 & 2009) are available for three of the streams in this category (64742-49-0: 59 mg/L and 71 mg/L at 20°C, 92128-65-9: < 200 mg/L at 20°C, 68476-55-1: 52 mg/L at 20°C). These data will be read across to all category members.

The <200 mg/L result is hindered by the high LOQ and was therefore disregarded when calculating the mean of the data. The mean of the water solubility values for the category is 60.6 mg/L at 20°Cand this has been used to complete the 'key value for chemical safety assessment'.