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Physical & Chemical properties

Solubility in organic solvents / fat solubility

Administrative data

Endpoint:
solubility in organic solvents / fat solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
15 Feb - 26 Mar 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Cross-reference
Reason / purpose:
reference to other study
Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Estimation based on solubility on 1-octanol and in water
Adequacy of study:
weight of evidence
Study period:
27 Mar 2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Remarks:
The water solubility used for the estimation of log Pow is below the detection limit of the analytical method. A clear log Pow cannot therefore estimated.
Reason / purpose:
reference to other study
Reason / purpose:
reference to other study
Qualifier:
according to
Guideline:
other: EU Method A.8 - Appendix 1 (Partition Coefficient - Estimation method)
Version / remarks:
May 2008
Qualifier:
according to
Guideline:
other: Guidance on Information Requirements and Chemical Safety Assessment Chapter R.7a: Endpoint specific guidance
Version / remarks:
Version 4.1, October 2015
GLP compliance:
no
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
> 5.76
Temp.:
20 °C
pH:
6.3
Remarks on result:
other: estimated from solubility in water and 1-octanol
Details on results:
Solubility in water and 1-octanol were both performed at 20 °C
pH 6.3 was measured during the water solubility study.

Pow = solubility of test item in 1-octanol / solubility of test item in water

Pow = 2.9 g/L / <5µg/L > 2.9 g/L / 0.000005 g/L = 5.8E5

log Pow > 5.76

 

The partition coefficient of the test item was calculated from the individual solubilities in 1-octanol and water at 20 °C, respectively. The log Pow value can be reported as:

log Pow > 5.76

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report Date:
2018

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: OECD Guideline 105
Version / remarks:
According to ECHA “Guidance on Information Requirements and Chemical Safety Assessment - Chapter R.7a: Endpoint specific guidance” (version 6.0, 2017), table “Table R.7.1-6 Methods for determination of partition coefficient n-octanol/water”, there is no current guideline to measure the solubility in octanol. A test method can be based on the principled of OECD Guideline 105.
Deviations:
yes
Principles of method if other than guideline:
Flask method according to OECD Guideline 105 (water solubility) was adapted for the measurement of n-octanol solubility.
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Solubility in organic solvents / fat solubility
Medium:
n-octanol
Solubility:
2.9 g/L
Temp.:
20 °C

Any other information on results incl. tables

The concentrations of the different test solutions were calculated automatically using the equation of the calibration curve. The results are summarised in the table below:

 

Test mixture

Time [h]

Concentration of test item [mg / 10 mL]

Average of test item [mg / 10 mL]*

1

24

2.917

 

 

 

2.698

 

 

 

2.675

27.6

 

 

 

 

2

48

2.998

 

 

 

2.850

 

 

 

2.850

29.0

 

 

 

 

3

72

2.942

 

 

 

3.086

 

 

 

3.043

30.2

* with calculation of the dilution factor (1/10)

 

 

These analytical results allow the calculation of the n-octanol solubility of the test item.

 

Test mixture

Time [h]

Average of test item [g/L]

Total average of test item [g/L]

1

24

2.8

 

2

48

2.9

2.9±0.14

3

72

3.0

 

 

The n-octanol solubility was determined at 20 °C.

 

 

The test item represents a mixture of different components. The octanol solubility was determined by integrating the entire peak group of the test item in the obtained chromatograms.

Applicant's summary and conclusion