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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
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline Study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1997
Report date:
1997

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: EC Guideline Reference Number: L383A-Part A.6.
GLP compliance:
yes

Test material

Constituent 1
Reference substance name:
.beta.-Cyclodextrin, 2-hydroxypropyl cycloheptaamylose
IUPAC Name:
.beta.-Cyclodextrin, 2-hydroxypropyl cycloheptaamylose
Constituent 2
Chemical structure
Reference substance name:
-
EC Number:
420-920-1
EC Name:
-
Cas Number:
128446-35-5
Molecular formula:
Hill formula: (C42H70-nO35)(C3H7O)n; n(mittel)=5,25
IUPAC Name:
2-Hydroxypropyl-.beta.-cyclodextrine ethers
Test material form:
solid: particulate/powder
Remarks:
migrated information: powder
Details on test material:
Physical Appearance: white powder
Batch No.: 01 (DRD#: SIETS 96.010)
Purity: 89.16%
Water Solubility: >= 180 g/L (SLI Report #97-10-7113)
Density: 991 kg/m³ (0.991 g/cm³) at 24.9 °C (SLI Report #97-4-6948)
Storage conditions: room temperature in a dark, ventilated cabinet

Results and discussion

Solubility in organic solvents / fat solubility
Medium:
n-octanol
Solubility:
1.79 other: g A.I./L
Temp.:
20 °C
Test substance stable:
not determined
Details on results:
The temperature of the incubator shaker ranged from 28.0 to 29.0 °C. During the re-equiiibration period, the temperature of the environmental chamber remained at 20.6 °C. Equilibrium was considered to have been reached after 24 hours of incubation at 20 °C. Upon visual inspection with the microscope, no undissolved particles were observed. Based an the results of this study, the mean solubility of hydroxypropylated .beta.-cyclodextrin in n-octanol was determined to be 1. 79 g A.I./L at approximately 20 °C.
An estimate of the log Kow can be calculated based on the water solubility and the n-octanol solubility of this compound. The estimated log Kow is -2.00 when the n-octanol solubility is (1.79 g/L is divided by the water solubility (> 180 g/L) and then the logarithm of the dividend is performed.
A log Kow of -2.00 suggests that SS0430.01 would not be expected to bioconcentrate in organisms in the natural environment.

Applicant's summary and conclusion

Conclusions:
The n-octanol solubility of hydroxypropylated .beta.-cyclodextrin was determined, by weight difference, to be 1.79 g A.I./L at 20 °C.
Executive summary:

This report describes the determination of the solubility of hydroxypropylated .beta.-cyclodextrinin n-octanol using the shake flask method. The solubility of a chemical in n-octanol gives an estimate of the partition coefficient (Pow) when divided by the water solubility. The partition coefficient, which is defined as the equilibrium ratio of the molar concentration of the test substance in a dilute solution of n-octanol and water, has been a useful parameter in assessing biological activity. The solubility of a solid or liquid chemical can be defined as the maximum amount of the chemical (the solute) in solution at equilibrium with excess chemical at specified ambient conditions (temperature and atmospheric pressure). The test samples were analyzed by high performance liquid chromatography (HPLC).

The study was initiated on 17 November 1997 the date the Study Director signed the protocol, and terminated on the day the Study Director signed the final report. The experimental phase of this study was conducted from 20 to 24 November 1997 at Springborn Laboratories, Inc. (SLI), located in Wareham, Massachusetts.