Registration Dossier
Registration Dossier
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Reaction mass of pentasodium 2-{[4-chloro-6-(ethyl{3-[(2-sulfonatoethyl)sulfonyl]phenyl}amino)-1,3,5-triazin-2-yl]amino}-5-hydroxy-6-({2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-1,7-disulfonate and tetrasodium 2-[(4-chloro-6-{ethyl[3-(vinylsulfonyl)phenyl]amino}-1,3,5-triazin-2-yl)amino]-5-hydroxy-6-({2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-1,7-disulfonate
EC number: 459-580-2 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 21 February 2006 to 03 April 2006
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Principles of method if other than guideline:
- In the preliminary test, a very good solubility in water and a very poor solubility in n-octanol were found indicating a partition coefficient below -2. Hence, a main test according to OECD Guidelines 107/117 (either HPLC or flask shaking method) could not be applied.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: estimated from its solubility in n-octanol and in water
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Identity: FAT 40824/A
Batch: Red ROE 805 BOP 04/05
Appearance: dark red powder
Purity: Organic part (Na-salt): approx. 82 %; Main component 1: approx. 36.2 %; Main component 2: approx. 27.5 %; Oligomers: 10 %
Expiration date: 01 October 2010
Storage: At room temperature at about 20 °C in a desiccator (hygroscopic) - Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- -5.8
- Remarks on result:
- other: calculated using the solubility in n-octanol and water respectively.
- Conclusions:
- The partition coefficient, log POW of FAT 40824/A was calculated from the individual solubility in n-octanol and in water, respectively, to be -5.8.
- Executive summary:
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 40824/A. Thus, the log POW-value for the test item was estimated from its solubility in n-octanol and in water, respectively. In the present study, the n-octanol solubility of FAT 40824/A was determined to be 0.6095 µg/ml. In conclusion, the partition coefficient, log Pow of FAT 40824/A was calculated from the individual solubilities in n-octanol and in water, respectively, to be -5.8.
Reference
WATER SOLUBILITY
After mixing a total of about 2.5 g of test item in 5 ml of water a dark coloured solution was obtained. It was scarily possible to decide by visual judgement if complete dissolution was achieved. The water solubility of FAT 40824/A might therefore be higher as determined in this study. The determination of the concentration in the above mentioned test item/water mixture was done by HPLC with respect to a calibration curve. A main test was not performed. In conclusion, the water solubility of FAT 40824/A was found to be at least 373 g/l (or above) at room temperature.
PARTITION COEFFICIENT (N-OCTANOL / WATER)
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 40824/A. Thus, the log Pow-value for the test item was estimated from its solubility in n-octanol and in water, respectively. In the present study, the n-octanol solubility of FAT 40824/A was determined to be 0.6095 µg/ml.
Description of key information
The log POW of the test substance is -5.8.Key value for chemical safety assessment
- Log Kow (Log Pow):
- -5.8
- at the temperature of:
- 20 °C
Additional information
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 40824/A. Thus, the log POW-value for the test item was estimated from its solubility in n-octanol and in water, respectively. In the present study, the n-octanol solubility of FAT 40824/A was determined to be 0.6095 µg/ml. In conclusion, the partition coefficient, log Pow of FAT 40824/A was calculated from the individual solubilities in n-octanol and in water, respectively, to be -5.8.
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