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Solubility in organic solvents / fat solubility

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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. certificate)
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.
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:
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).

Key value for chemical safety assessment

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.