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Physical & Chemical properties

Water solubility

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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:
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.

Key value for chemical safety assessment

Additional information