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EC number: 630-399-2 | CAS number: 130169-56-1
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
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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