Registration Dossier
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EC number: 630-399-2 | CAS number: 130169-56-1
Water solubility
Administrative data
Link to relevant study record(s)
Description of key information
Weight of evidence is based on various studies performed according to guidelines and calculations with commercial software (kowwin, vers. 1.67)
The water solubilities of various primary fatty amines were calculated based on their c-chain distribution using the algorithm presented in the publication of Matuura et. al. from 1975. Values are presented based on the water solubility of the free amine as well as of their hydrochlorides.
Key value for chemical safety assessment
- Water solubility:
- 0.559 µg/L
- at the temperature of:
- 25 °C
Additional information
The water solubilities of the various primary fatty amines were calculated (where required) from their C-Chain distribution according to the formula presented in the publication by Matuura et.al. [1]. The values used for the calculation were derived from the literature or were extrapolated from literature values (unprotonated form of the amines) or were determined by cmc-measurements of C-chain pure hydrochlorides. In some cases the cmc was extrapolated from the measured data (for C8, C10 and C20 values).
Table 1: water solubilities of the commercial substances derived from the water solubilities of the C-chain pure amines (unprotonated)
| Substance Name | solubility [mg/L] |
| Dodecan-1-amine | 3.70 |
| C12-18-(even numbered)-alkylamine | 4.63 x 10-3 |
| C16-18-(even numbered, C18 unsaturated)-alkylamine | 7.89 x 10-4 |
| C16-18-(even numbered)-alkylamine | 7.98 x 10-4 |
| (Z)-Octadec-9-enylamine | 6.20 x 10-4 |
| Octadecan-1-amine | 5.59 x 10-4 |
Table 2: water solubilities of the commercial substances derived from the water solubilities of the hydrochlorides of the C-chain pure amines (protonated form of amine)
| Substance Name | solubility [mg/L] |
| Dodecan-1-amine | 3.5 x 103 |
| C12-18-(even numbered)-alkylamine | 2.73 x 102 |
| C16-18-(even numbered, C18 unsaturated)-alkylamine | 8.11 x 101 |
| C16-18-(even numbered)-alkylamine | 8.19 x 101 |
| (Z)-Octadec-9-enylamine | 8.85 x 101 |
| Octadecan-1-amine | 9.0 x 101 |
Conclusion:
Due to their pKa-value of approximately 10.6, primary amines generally appear fully protonated under environmental conditions. Several studies using C-chain pure primary amines revealed that the water solubility under environmental conditions (as determined from their hydrochloride salt) is by factor of 1000 greater than the values published in literature for their unprotonated amine form. Despite the fact that primary amines appear fully protonated and serving as a as worst case the value from the unprotonated form of Octadecan-1 -amine (0.559 µ/L) will be taken as the key value for the chemical safety assessment.
References:
[1]: N. Nishikido, Y. Moroi, R. Matuura, "The Micelle Formation of Mixtures of Polyoxyethylene Type Nonionic Surfactants in Aqueous Solutions", Bulletin of the Chemical Society of Japan, Vol. 48 (5), 1387-1390 (1975)
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