Registration Dossier
Registration Dossier
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EC number: 619-447-3 | CAS number: 99607-70-2
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:
- 2000-01-31 - 2000-02-02 (experimental phase)
- 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:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 5.24
- Temp.:
- 25 °C
- pH:
- 5
- Type:
- log Pow
- Partition coefficient:
- 5.2
- Temp.:
- 25 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 5.23
- Temp.:
- 25 °C
- pH:
- 9.1
- Details on results:
- CGA185072 is a weak base (pKa: 3.55). Therefore the partition coefficients at 25 °C were determined as uncorrected and as corrected values for three different pH values (i.e. after correction for the effects due to protonation of the base).
The mean Pow and log Pow (logarithm to base 10) values for each of the three octanol / buffer solution systems are given below, together with the mean determined pH values, all correct to three significant figures. The figure in parentheses represents the standard deviation.
pH: 5.0
uncorrected Pow: 172000 (17300)
corrected Pow: 178000 (17900)
uncorrected log Pow: 5.24
corrected log Pow: 5.25
pH: 7.0
uncorrected Pow: 159000 (14600)
corrected Pow: 159000 (14600)
uncorrected log Pow: 5.20
corrected log Pow: 5.20
pH: 9.1
uncorrected Pow: 169000 (24200)
corrected Pow: 169000 (24200)
uncorrected log Pow: 5.23
corrected log Pow: 5.23
Because CGA185072 is only a weak base, the uncorrected and corrected values are practically identical. - Conclusions:
- The study is considered to be adequate and reliable.
- Executive summary:
log Pow = 5.24 at pH 5.0
log Pow = 5.20 at pH 7.0
log Pow = 5.23 at pH 9.1Within the investigated pH range, the octanol/water partition coefficient is practically independent of the pH of the aqueous phase.
Reference
Within the investigated pH range, the octanol/water partition coefficient is practically independent of the pH of the aqueous phase.
Description of key information
log Pow (25°C, pH 5.0): 5.24
log Pow (25°C, pH 7.0): 5.20
log Pow (25°C, pH 9.1): 5.23
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.2
- at the temperature of:
- 25 °C
Additional information
Within the investigated pH range, the octanol/water partition coefficient is practically independent of the pH of the aqueous phase.
A guideline study is available which is considered to be reliable and adequate, and is carried forward for use in risk assessment, classification and labelling.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
