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EC number: 269-915-2 | CAS number: 68390-97-6 This substance is identified by SDA Substance Name: C16-C18 alkyl dimethyl amine and SDA Reporting Number: 19-040-00.
- 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
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 10 February - 20 March 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Acceptable, well-documented study report, which meets basic scientific principles
- Principles of method if other than guideline:
- The pKa of the test substance was calculated from the molecular structure with commercially available software. An experimental determination of the pKa value is not possible due to the low solubility.
- Dissociating properties:
- yes
- pKa:
- 9.78
- Temp.:
- 25 °C
- Conclusions:
- The pKa is 9.78 ± 0.28 at 25°C for the whole C10 to C18 alkyl range of dimethylalkylamines.
- Executive summary:
Due to the limited solubility of the test substance, the pKa was calculated (ACD/I-Lab Web service software) for C10 alkyl, C12 alkyl, C18 alkyl and C18 alkenyl chain lengths of dimethylalkylamines. The results show that the pKa is independent of chain length for the whole C10 to C18 alkyl range of dimethylalkylamines. The pKa of 9.78 ± 0.28 at 25°C therefore also applies to the test substance.
Reference
For C12 alkyl, C18 alkyl and C18 alkenyl this gave identical results of pKa = 9.78 ± 0.28 at 25°C and zero ionic strength. For C10 alkyl, the result was pKa = 9.79 ± 0.28. This difference of 0.01 pKa units is not significant, so that the pKa can be considered independent of chain length for the whole C10 to C18 alkyl range of dimethylalkylamines.
Description of key information
Due to the limited solubility of the test substance, the pKa was calculated (ACD/I-Lab Web service software) for C10 alkyl, C12 alkyl, C18 alkyl and C18 alkenyl chain lengths of dimethylalkylamines. The results show that the pKa is independent of chain length for the whole C10 to C18 alkyl range of dimethylalkylamines. The pKa of 9.78 ± 0.28 at 25°C therefore also applies to the test substance.
Key value for chemical safety assessment
- pKa at 20°C:
- 9.78
Additional information
Dissociation of DMA category members
The percentage of neutral (i.e. amine) and protonated forms of DMA category members can be calculated from the pKa of 9.78 (25 °C; identical for all category members)for a given pH using the Henderson-Hasselbach equation.
Percentage of neutral and protonated DMAs at pH 4, 7 and 9
pH |
% amine |
% protonated |
4 |
0.00017% |
99.99983% |
7 |
0.2% |
99.8% |
9 |
14.2% |
85.8% |
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