Esterification product of castor oil fatty acids and pentaerythritol

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Study period:

2017-07-27

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

Estimated data are obtained from a reliable (Q)SAR program developed and validated by the United States Environmental Protection Agency (U.S. EPA). This program is included in the OECD (Q)SAR Toolbox for use in filling REACH data gaps.

Qualifier:

no guideline followed

Principles of method if other than guideline:

Estimated data are obtained from a reliable (Q)SAR program developed and validated by the United States Environmental Protection Agency (U.S. EPA). This program is included in the OECD (Q)SAR Toolbox for use in filling REACH data gaps.

GLP compliance:

no

Type of method:

other: Calculation method (fragments)

Key result

Water solubility:

0.066 mg/L

Conc. based on:

test mat.

Temp.:

25 °C

pH:

7

---------------------------------- WSKOW v1.42 Results ------------------------

Log Kow (estimated) : 5.34 

Log Kow (experimental): not available from database

Log Kow used by Water solubility estimates: 5.34

 

Equation Used to Make Water Sol estimate:

  Log S (mol/L) = 0.796 - 0.854 log Kow - 0.00728 MW + Correction

    (used when Melting Point NOT available)

 

   Correction(s):    Value

   -------------------- -----

    No Applicable Correction Factors

 

  Log Water Solubility (in moles/L) : -6.800

  Water Solubility at 25 deg C (mg/L): 0.0661

Conclusions:

The substance was estimated to have a water solubility of 0.0661 mg/L at 25°C by WSKOW v 1.68 in EPI-Suite v4.11.

Reference 2

Endpoint:

water solubility

Type of information:

other: other company data

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

test procedure in accordance with national standard methods with acceptable restrictions

Justification for type of information:

Specification data long held by the manufacturer. Practical handling experience has not resulted in the questioning of the accuracy of this data.

Qualifier:

equivalent or similar to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Principles of method if other than guideline:

Experimental specification data long held by the manufacturer. Practical handling experience has not resulted in the questioning of the accuracy of this data.

GLP compliance:

no

Type of method:

flask method

Key result

Water solubility:

< 0.1 mg/L

Conc. based on:

test mat.

Temp.:

25 °C

pH:

7

Remarks on result:

not determinable

Remarks:

Considered to be insoluble in water. Assume neutral pH.

Conclusions:

The substance was observed to be insoluble in water; the solubility is estimated to be less than 0.1 mg/L.

Description of key information

Insoluble (0.0661 mg/L, est.)

Key value for chemical safety assessment

Water solubility:

0.066 mg/L

at the temperature of:

25 °C

Additional information

The substance was observed to be insoluble in water. The water solubility of the substance was estimated to be 0.0661 mg/L.