Fatty acids, C16-18 and C18-unsatd., reaction products with glycidyl neodecanoate and 7-oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2016

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Justification for type of information:

Guideline method conducted in a reliable laboratory within the spirit of GLP, but without CLP certification.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

no

Type of method:

flask method

Key result

Water solubility:

>= 19 - <= 252.2 mg/L

Conc. based on:

test mat.

Incubation duration:

72 h

Temp.:

20 °C

pH:

> 6.1 - <= 6.6

Remarks on result:

other: dependent on loading rate

Details on results:

By day 3, the plateau was considered as reached. The measured value of the blank solution lay below the LOQ of TC (< 1.89 mg/L). Dependency of solubility on amount of the test item (nominal load) was perceived in the main study. As solubility was dependent on nominal concentration, no exact value for the solubility of the test item in water can be stated. The solubility range for the tested nominal concentration from 1006 to 10006 mg/L is 19.0 – 252.2 mg/L at 20.0 ± 0.5 °C, corresponding to 1.9 – 3.6 % of the test item relating to the nominal concentration of the test item.

Measurements used in the Calculation of Solubility

Flask	Measured Conc. Test Item [mg/L]	Nominal Conc. Test Item [mg/L]	Dissolved Part [%]	pH value
2	19.0	1006	1.89	6.12
3	108.1	3004	3.60	6.48
4	171.6	6010	2.86	6.34
5	181.0	8004	2.26	6.54
6	252.2	10006	2.52	6.45

In a graph of the Conc. Test Item (nominal in mg/l) vs Conc. Test Item (measured in mg/l), the following equation was obtained: y = 0.0234x + 15.225. R2 = 0.9473.

Conclusions:

The water solubility of the test substance was dependent on the amount of the test item added. The exact value for the solubility of the test item in water cannot be determined, but is between 19.0 – 252.2 mg/L at 20°C.

Description of key information

19.0 - 252.2 mg/L

Key value for chemical safety assessment

Water solubility:

19 mg/L

at the temperature of:

20 °C

Additional information

The experimental value (Affolter, 2015) of 19.0 mg/ml is used to satisfy the solubility endpoint.  Water solubility was found to be dependent upon loading rates. The lower range of the observed values is consistent with ecotoxicity tests which were conducted as a water-accommodated fraction, where the dissolved organic carbon (DOC) analysis did not indicate a significant increase in the DOC measured in the treatment groups (i.e., test loading rates  of  1 mg/L, 3.2 mg/L, 10 mg/L, 32 mg/L and/or 100 mg/L) when compared to the blank controls (i.e., 0 mg/L test substance concentration). This indicates an observed solubility well below both experimental values of 252.2 mg/L and 19.0 mg/L in Affolter, 2015, and perhaps even below 3.2 mg/L or 1 mg/L. Note that the water solubility is evaluated in deionized water, whereas the media for aquatic testing contain other salts and constituents, which may explain the inconsistency in solubility values The EPI-Suite water solubility predictions of the principal component were 3.099e-05 mg/L and 8.1322e-07 mg/L, based on two separate estimation models; both estimated values support a conclusion of low water solubility.