Fatty acids, C14-22, 2-ethylhexyl esters, epoxidized

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Study period:

30 July 2010

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

study well documented, meets generally accepted scientific principles, acceptable for assessment

Qualifier:

according to guideline

Guideline:

other: Estimated by calculation

Principles of method if other than guideline:

Estimates from fragments, Wat sol v1.01 est.

GLP compliance:

no

Type of method:

other: calculation with EPIsuite

Key result

Water solubility:

> 0.02 µg/L

Temp.:

20 °C

pH:

ca. 7

Details on results:

According to EPIsuite (Estimate from fragments, Wat sol v1.01 est), 88.6% of the components have a solubility of less than 0.02 µg/L. For the remaining 11.4%, the solubility is significantly less than 0.1 mg/L (IUCLID Insoluble). For this portion, the solubility would contribute at 0.4 µg/L. In conclusion the calculated water solubility is 0.4 µg/L, with almost 90% at significantly less than 0.02 µg/L . This substance can therefore be considered as highly insoluble.

Constituent	Concentration from GC/MS area %	Water solubility	Water Solubility <0.02 µg/L
C14	Trace	-	-
C16	7.9	9.13x10^-3µg/L	Yes
C16:1	0.6	0.108 µg/L	No
C18:0	3.7	4.02x10^-4µg/L	Yes
C18:1	25.3	9.13x10^-3µg/L	Yes
C18:2	16.4	0.185 µg/L	Yes
C18:3	10.8	3.73 µg/L	No
C20	0	4.25x10^-4µg/L	Yes
C20:1	12.1	8.22x10^-4µg/L	Yes
C20:2	3.8	4.67x10^-4µg/L	Yes
C20:3 – C22 Esters	19.4	4.5-4.8x10^-4µg/L	Yes

Conclusions:

According to EPIsuite (Estimate from fragments, Wat sol v1.01 est), 88.6% of the components have a solubility of less than 0.02 µg/L. For the remaining 11.4%, the solubility is significantly <0.1 mg/L (IUCLID Insoluble). For this portion, the solubility would contribute at 0.4 µg/L. In conclusion the calculated water solubility <0.4 µg/L, with almost 90% at significantly less than 0.02 µg/L . This substance can therefore be considered as highly insoluble.

Executive summary:

According to EPIsuite (Estimate from fragments, Wat sol v1.01 est), 88.6% of the components have a solubility of less than 0.02 µg/L. For the remaining 11.4%, the solubility is significantly <0.1 mg/L (IUCLID Insoluble). For this portion, the solubility would contribute at 0.4 µg/L. In conclusion the calculated water solubility <0.4 µg/L, with almost 90% at significantly less than 0.02 µg/L . This substance can therefore be considered as highly insoluble. Due to this very low solubility, an experimental study is not considered needed.

Description of key information

According to EPIsuite (Estimate from fragments, Wat sol v1.01 est), 88.6% of the components have a solubility of less than 0.02 µg/L. For the remaining 11.4%, the solubility is significantly <0.1 mg/L (IUCLID Insoluble). For this portion, the solubility would contribute at 0.4 µg/L. In conclusion the calculated water solubility <0.4 µg/L, with almost 90% at significantly less than 0.02 µg/L . This substance can therefore be considered as highly insoluble. Due to this very low solubility, an experimental study is not considered needed.