2,2-bis[[(2-hexyl-1-oxodecyl)oxy]methyl]-1,3-propanediyl bis(2-hexyldecanoate)

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: well accepted calculation method

Qualifier:

no guideline followed

Principles of method if other than guideline:

The value was calculated using WS kowwin v1.42, a subroutine of the computer program EPI SuiteTM version 4.11.

GLP compliance:

no

Type of method:

other: data calculated using a publicly available computer model

Temp.:

25 °C

pH:

ca. 7

Remarks on result:

other: 8.706e-026 mg/l

Details on results:

Calculated value = 8.7e-026 mg/L at 25 °C

Conclusions:

Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
The calculated value for water solubility of 2,2-bis[[(2-hexyl-1-oxodecyl)oxy]methyl]-1,3-propanediyl bis(2-hexyldecanoate) is 8.706e-026 mg/l.

Executive summary:

The water solubility of 2,2-bis[[(2-hexyl-1-oxodecyl)oxy]methyl]-1,3-propanediyl bis(2-hexyldecanoate) was calculated to be 8.7e-026mg/L at 25 °C using WS kowwin v1.42, a subroutine of the computer program EPI SuiteTM version 4.11.

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Test procedure according to OECD test guideline 105 without GLP.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

no

Type of method:

flask method

Water solubility:

< 0.5 mg/L

Temp.:

20 °C

pH:

3.8

Details on results:

The mean value for the water solubilty was determined to be < 0.5 mg/l. The quantification limit is 0.5 mg/l.

Triple measurement:

Temperature: 20 °C

pH: 3.8

Equilibration time for solubilization: 1 week

Sample volume: 0.1 ml

Volume of water: 100 ml

Water solubility as TOC: < 0.5 / < 0.5 / < 0.5 mg/L

Average: < 0.5 mg/l

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)

Executive summary:

Water solubility of 2,2-bis[[(2-hexyl-1-oxodecyl)oxy]methyl]-1,3-propanediyl bis(2-hexyldecanoate) < 0.5 mg/L at 20 °C (detection limit 0.5 mg/l); determined according to OECD Guideline 105.

Additional information

The experimentally determined water solubility was below the detection limit of 0.5 mg/l. QSAR calculations with an accepted computer model result in a water solubility of 8.7e-026 mg/l.