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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2008-04-08 till 2008-05-22
Reliability:
1 (reliable without restriction)
Cross-reference
Reason / purpose for cross-reference:
reference to other study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2008
Report date:
2008

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: The log Pow-value for the test item was estimated from its solubility in n-octanol and in water, respectively.
Principles of method if other than guideline:
In the preliminary test, a good solubility in water and a poor solubility in n-octanol were found indicating a partition coefficient below -2. Hence, neither the HPLC-method according to OECD Guideline No. 117 nor the flask-shaking method according to OECD Guideline No. 107 were applicable for the determination of the partition coefficient of FAT 40840/A TE. Therefore the partition coefficient was estimated using the solubility data in n-octanol from the pre-test and the water from the main test.
GLP compliance:
yes (incl. QA statement)
Type of method:
other: see description below
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Name of test material (as cited in study report): FAT 40840/A TE
- Substance type: colouring dye
- Physical state: solid, dark red powder
- Analytical purity: approx. 78.9% org. part (NA-salt), MC: 37.7%, Oligomers: 19.2%
- Purity test date:
- Lot/batch No.: ROE 358 BOP 01/07
- Expiration date of the lot/batch: June 30, 2012
- Storage condition of test material: At room temperature at about 20°C

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-4.32
Temp.:
21 °C
pH:
6.4
Details on results:
Based on the results of the preliminary test, the partition coefficient, log Pow, of FAT 40840/A TE was found to be below -2. Estimated from the individual solubilities in n-octanol and in water, respectively, the log Pow was estimated to be -4.32 .

Any other information on results incl. tables

During this study the water solubility and the partition coefficient n-octanol / water of FAT 40840/A TE was determined.

Due to the results in the preliminary test, the water solubility of FAT 40840/A TE was found to be 74.098 g/L at room temperature, the n-octanol solubility of FAT 40840/A TE was determined to be 3.577 μg/mL.  

The partition coefficient log POW of FAT 40840/A TE was calculated from the individual solubilities in n-octanol and in water to be: log Pow = - 4.32

Applicant's summary and conclusion

Conclusions:
Based on the results of the preliminary test, the partition coefficient, log POW, of FAT 40840/A TE was found to be below -2. Estimated from the individual solubilities in n-octanol and in water, respectively, the log POW was estimated to be: log Pow = - 4.32
Executive summary:

In the preliminary test, a good solubility in water and a poor solubility in n-octanol were found indicating a partition coefficient below -2. Hence, neither the HPLC-method according to OECD Guideline No. 117 nor the flask-shaking method according to OECD Guideline No. 107 were applicable for the determination of the partition coefficient of FAT 40840/A TE. Therefore the partition coefficient was estimated using the solubility data in n-octanol from the pre-test and the water from the main test.

Due to the results in the preliminary test, the water solubility of FAT 40840/A TE was found to be 74.098 g/L at room temperature, the n-octanol solubility of FAT 40840/A TE was determined to be 3.577 μg/mL at room temperature..  

The partition coefficient log POW of FAT 40840/A TE was calculated from the individual solubilities in n-octanol and in water to be: log Pow = - 4.32