Registration Dossier
Registration Dossier
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EC number: 606-946-6 | CAS number: 221640-14-8
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2004
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study without detailed documentations
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- flask method
- Water solubility:
- 24 g/L
- Temp.:
- 20 °C
- pH:
- 3.9
- Remarks on result:
- other: standard deviation: 2 g/L
- Conclusions:
- Interpretation of results (migrated information): very soluble (> 10000 mg/L)
Carbamic acid [(1S)-,2-[(2-aminoethyl)amino]-1-[(4-ethoxyphenyl)methyl]ethyl]-,phenylmethyl ester, dihydrochloride (9Cl) can be considered as very soluble with a water solubility of 24 g/l (standard deviation 2 g/l). The pH value was determined to be 3.9. - Executive summary:
The solubility of carbamic acid [(1S)-,2-[(2-aminoethyl)amino]-1-[(4-ethoxyphenyl)methyl]ethyl]-,phenylmethyl ester, dihydrochloride (9Cl) in water with 95% confidence interval was determined using a flask method which is based on suspending the test substance in the solvent, followed by separation ofthe saturated solution from the insoluble residues. The concentration was monitared by HPLC analysis. With a water solubility of 24 g/L (sd 2 g/l) the test substance can be considered as very soluble in water at 20 °C and pH 3.9.
Reference
The investigation of the insoluble residue by HPLC showed an increase of related products (approx. 15 to 30 %), especially dibenzyl (3S, 10S)-3, 10 -bis( 4 -ethoxybenzyl)-2,5,8,11-tetraazadodecanedioate, dihydrochloride which was already contained with 3.9% in
the starting material. However, in the solutions no related products were observed. Therefore, the increase in the insoluble residue was mainly caused by an enrichment of this related product due to a lower solubility with respect to the test item.
Description of key information
Carbamic acid [(1S)-,2-[(2-aminoethyl)amino]-1-[(4-ethoxyphenyl)methyl]ethyl]-,phenylmethyl ester, dihydrochloride (9Cl) can be considered as very soluble with a water solubility of 24 g/l (standard deviation 2 g/l). The pH value was determined to be 3.9.
Key value for chemical safety assessment
- Water solubility:
- 24 g/L
- at the temperature of:
- 20 °C
Additional information
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