Registration Dossier

Diss Factsheets

Physical & Chemical properties

Water solubility

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

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.

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.

Description of key information

Key value for chemical safety assessment

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.