Reaction mass of oxybispropanediol and tetraglycerol and triglycerol, esterification products with lactic acid and lauric acid

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

April 13th 2021

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2021

Report date:

2021

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)

Deviations:

yes

Remarks:

The test guidelines states, the test item stock solution to be prepared in n-octanol (pre-saturated with water). However, the solubility of test item in n-octanol is very low, so the test item stock solution was prepared in water (pre-saturated with n-oct

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Deviations:

yes

Remarks:

The test guidelines states, the test item stock solution to be prepared in n-octanol (pre-saturated with water). However, the solubility of test item in n-octanol is very low, so the test item stock solution was prepared in water (pre-saturated with n-oct

Test guideline 3

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

Deviations:

yes

Remarks:

The test guidelines states, the test item stock solution to be prepared in n-octanol (pre-saturated with water). However, the solubility of test item in n-octanol is very low, so the test item stock solution was prepared in water (pre-saturated with n-oct

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

Reaction mass of oxybispropanediol and tetraglycerol and triglycerol, esterification products with lactic acid and lauric acid

Molecular formula:

not applicable - UVCB substance

IUPAC Name:

Reaction mass of oxybispropanediol and tetraglycerol and triglycerol, esterification products with lactic acid and lauric acid

Specific details on test material used for the study:

Test item name: Finestar 2009
CAS Number: 2225876-48-0
Water solubility: soluble in water
Molecular formula: C12 H22 O8
Molecular weight: 294.30
Batch/Lot number: 3253082031
analyzed purity: 100% active
Saponification value: 45.87
Date of manufacture: August 27, 2020
Date of expiry: August 26, 2021
Appearance: Pale yellow viscous liquid
Storage temperature: Room temperature (15 to 30°C)
Storage condition: Keep away from light, moisture, and oxidizing - reducing chemicals
Storage container: Keep in original container

Study design

Analytical method:

liquid chromatography

mass spectrometry

Results and discussion

Partition coefficient

Key result

Type:

log Pow

Remarks on result:

not determinable

Remarks:

Could not be determined. Finester 2009 exhibited high tendency towards the hydrophilic solvent (water), and therefore, Finester 2009 could not be detected in n-octanol.

Details on results:

Specificity
The specificity of the method was studied by injecting mobile phase, blank n-octanol (pre-saturated), water (pre-saturated), and test item solution (L3). Since there was no interference from the blank n-octanol (pre-saturated), water (pre-saturated), as well as mobile phase at the retention time of the analyte, the analytical method was considered to be specific for the analyte.

Linearity
The linearity of the analytical method was established before analysing the sample. Five different
concentrations of Finester 2009 solutions ranging from 0.51 to 7.63 mg/L were injected onto LC-MS-MS in singlet, and their resulting peak areas were plotted against concentration (mg/L). The correlation coefficient (r) was 0.999.

Partition Coefficient
The partition coefficient (Log10 Pow) of Finester 2009 could not be determined. Finester 2009 exhibited high tendency towards the hydrophilic solvent (water), and therefore, Finester 2009 could not be detected in n-octanol.

Applicant's summary and conclusion

Executive summary:

EC, 2008: The Council Regulation (EC) No 440/2008 of 30 May 2008, laying down Test Methods
pursuant to Regulation (EC) No 1907/2006 of the European Parliament and of the Council on the
Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), A.8 “Partition
Coefficient”, (Official Journal No L142, 31/05/2008).
OECD, 1995: The Organisation for Economic Cooperation and Development (OECD) Guidelines
for the Testing of Chemicals, OECD 107, “Partition Coefficient (n-Octanol/Water): Shake Flask
Method”, adopted by the Council on July 27, 1995.
OECD, 1998: OECD Series on Principles of Good Laboratory Practice and Compliance Monitoring,
Number 1, “OECD Principles on Good Laboratory Practice”, ENV/MC/CHEM(98)17 (as revised
in 1997).
U.S. EPA, 1996: The United States Environmental Protection Agency (EPA), Product Properties
Test Guidelines, OCSPP 830.7550 “Partition Coefficient (n-octanol/water), Shake Flask Method”
(EPA 712-C-96-038), August 1996.

The partition coefficient (Log10 Pow) of Finester 2009 could not be determined. Finester 2009 exhibited high tendency towards the hydrophilic solvent (water), and therefore, Finester 2009 could not be detected in n-octanol.