Reaction products of enzymatic esterification of linolenic acid and 1,2-octanediol

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

1-hydroxyoctan-2-yl octadeca-9,12,15-trienoate; 2-hydroxyoctyl octadeca-9,12,15-trienoate; 2-hydroxyoctyl octadeca-9,12-dienoate; octane-1,2-diol

EC Number:

944-490-2

Molecular formula:

unknown

IUPAC Name:

1-hydroxyoctan-2-yl octadeca-9,12,15-trienoate; 2-hydroxyoctyl octadeca-9,12,15-trienoate; 2-hydroxyoctyl octadeca-9,12-dienoate; octane-1,2-diol

Test material form:

liquid

Specific details on test material used for the study:

Name: DIOLENIQUE C8
Chemical name: Reaction products of enzymatic esterification of linolenic acid with an excess of 1,2-octanediol

Results and discussion

Water solubility

Key result

Water solubility:

1 850 mg/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

>= 2.45 - <= 4.32

Applicant's summary and conclusion

Conclusions:

This study was based on the determination of the amount of carbon in the water soluble fraction from the Test Item. The carbon content of the visually soluble fraction from DIOLENIQUE C8 was found to be 1358 ± 278.1 mg Carbon/L at approximately 5000 mg/L nominal concentration of Test Item as a quasi-saturated solution by TC method.

Theoretically, after a correction of the measured carbon content with the result of the elemental analysis (Citoxlab Study code: 17/374-928AN, where 73.38% carbon content of the test item was measured), the water solubility of the Test Item is 1850 ± 379.0 mg/L.

However, it should be noted that the Test Item is an UVCB substance. Therefore, the calculated value is only a theoretical solubility value. This theoretical calculation assumes, that the carbon content of the pure Test Item and the carbon content of the dissoluble fraction are not different from each other, furthermore that all component has similar solubility in water.

Executive summary:

This study was based on the determination of the amount of carbon in the water soluble fraction from the Test Item. The carbon content of the visually soluble fraction from DIOLENIQUE C8 was found to be1358± 278.1mg Carbon/Lat approximately 5000 mg/L nominal concentration of Test Item as a quasi-saturated solution by TC method.

 

Theoretically, after a correction of the measured carbon content with the result of the elemental analysis (Citoxlab Study code: 17/374-928AN, where 73.38% carbon content of the test item was measured), the water solubility of the Test Item is1850± 379.0 mg/L.

 

However, it should be noted that the Test Item is an UVCB substance. Therefore, the calculated value is only a theoretical solubility value. This theoretical calculation assumes, that the carbon content of the pure Test Item and the carbon content of the dissoluble fraction are not different from each other, furthermore that all component has similar solubility in water.