D-Glucitol, 1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, 2,3,4,6-tetraacetate, (1S)-

Solubility in organic solvents / fat solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

solubility in organic solvents / fat solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

25 August 2016 - 22 September 2016

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Indication of solubility in propylene glycol based on experiments in view of the development and validation of an analytical method for the analysis of the test item in propylene glycol.

Qualifier:

no guideline followed

Principles of method if other than guideline:

For the development and validation of an analytical method for analysis of the test item in propylene glycol, the following guideline was followed: EC guidance for generating and reporting methods of analysis in support of pre-registration data requirements for Annex VII (Part A, section 4) and Annex III (Part A, section 5) of Directive 91/414, SANCO/3029/99 rev. 4 (11/07/00). No specific guidelines were followed for determination of the solubility of the test item in propylene glycol.

GLP compliance:

yes (incl. QA statement)

Specific details on test material used for the study:

- Batch n°: I16CB1581
- Analytical purity: 98.61 %
- Expiration date: 2019-04-04
- Storage condition: at room temperature

Key result

Medium:

other: propylene glycol

Solubility:

>= 203.1 g/L

Test substance stable:

yes

Details on results:

Analysis of formulations at 1 mg/mL (low) and 200 mg/mL (high) after storage yielded a relative difference of <= 10%. Based on this, the formulations were found to be stable during storage at room temperature under normal laboratory light conditions for at least 6 hours.

Conclusions:

Based on experiments performed in view of the development and validation of an analytical method for the test item in propylene glycol, the solubility of the test item in propylene glycol can be concluded to be >= 203.1 g/L. The test item proved to be stable in propylene glycol during storage at room temperature under normal laboratory light conditions for at least 6 hours.

Reference 2

Endpoint:

solubility in organic solvents / fat solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

no data

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

other: Insufficient documentation for an assessment of reliability.

Reason / purpose for cross-reference:

reference to same study

Principles of method if other than guideline:

An excess of product is shaked with solvent during 24 hours at 20 deg C. After filtration the concentration in solution is determined with spectrometry.

GLP compliance:

not specified

Medium:

methanol

Solubility:

0.071 other: g/100 mL solution

Temp.:

20 °C

Medium:

ethanol

Solubility:

0.037 other: g/100 mL solution

Temp.:

20 °C

Medium:

other: 2-propanol

Solubility:

0.015 other: g/100 mL solution

Temp.:

20 °C

Medium:

other: dichloromethane

Solubility:

> 20 other: g/100 mL solution

Temp.:

20 °C

Medium:

acetone

Solubility:

4.7 other: g/100 mL solution

Temp.:

20 °C

Medium:

ethyl acetate

Solubility:

3.4 other: g/100 mL solution

Temp.:

20 °C

Medium:

toluene

Solubility:

1.9 other: g/100 mL solution

Temp.:

20 °C

Medium:

other: isobutylmethylketon

Solubility:

0.92 other: g/100 mL solution

Temp.:

20 °C

Medium:

other: methylethylketon

Solubility:

3.4 other: g/100 mL solution

Temp.:

20 °C

Medium:

other: 1-methoxy-2-propanol

Solubility:

0.48 other: g/100 mL solution

Temp.:

20 °C

Details on results:

no data

Results on solubility in organic solvents:

Solvent	Solubility in g/100 mL solution
N,N-dimethylacetamide	13
N,N-dimethylformamide	12
acetonitrile	2.5
tetrahydrofurane	13
acetic acid	1.8
acetic acid/water (10/90, v/v) (pH = 2.2)	< 0.001
methanol/dichloromethane (50/50, v/v)	8.8

Conclusions:

The solubility in different organic solvents was determined and ranged from 0.015 g/100 mL 2-propanol to >20.0 g/100 mL DCM.

Description of key information

Based on experiments performed in view of the development and validation of an analytical method for the test item in propylene glycol, the solubility of the test item in propylene glycol can be concluded to be >= 203.1 g/L. The test item proved to be stable in propylene glycol during storage at room temperature under normal laboratory light conditions for at least 6 hours (Marguerite, 2017).

Additional information

In a supporting study performed by J&J PRD which was assigned as K4, the solubility in different organic solvents was determined and ranged from 0.015 g/100 mL 2-propanol to >20.0 g/100 mL DCM.