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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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- For details on endpoint-specific justification, please see read-across justification document (analogue approach) in section 13.
- Reason / purpose for cross-reference:
- assessment report
- Reason / purpose for cross-reference:
- read-across source
- Partition coefficient type:
- octanol-water
- Type:
- Pow
- Partition coefficient:
- 3 224
- Temp.:
- 20 °C
- Remarks on result:
- other: RA from C18-DMA HCl: mildly acidic (salt of a medium strength base and a strong acid), pH not measured
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.51
- Temp.:
- 20 °C
- Remarks on result:
- other: RA from C18-DMA HCl: mildly acidic (salt of a medium strength base and a strong acid), pH not measured
- Executive summary:
The study used as source investigated the log Pow at 20 °C for C18-DMA hydrochloride. The study results of the source substance were considered applicable to the target substance. Justification and applicability of the read-across approach (structural analogue) is outlined in the read-across report in section 13.
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 16 January 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- COMMISSION REGULATION (EC) No 440/2008 of 30 May 2008, Appendix 1
Calculation/estimation methods - Deviations:
- no
- Principles of method if other than guideline:
- Calculation of log Pow from solubility in n-octanol (see section 4.9) and water (see section 4.8). Since the test substance is miscible with n-octanol at every ratio, the maximum solubility in n-octanol corresponds to 100 % test substance and the quantitative value of the solubility is the density (see section 4.4) expressed in g/L.
- Type of method:
- other: Calculation
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: calculated from density and water solubility
- Type:
- Pow
- Partition coefficient:
- 201 175
- Temp.:
- 20 °C
- pH:
- 8
- Type:
- log Pow
- Partition coefficient:
- 5.3
- Temp.:
- 20 °C
- pH:
- 8
- Details on results:
- The density and the water solubility were both determined at 20 °C and the same batch of the substance was used in both determinations (see sections 4.4 and 4.8).
- Conclusions:
- The calculated log Pow of the test substance is 5.3 at 20 °C.
- Executive summary:
The log Pow of the test substance was calculated from the solubility in n-octanol (a maximum solubility in n-octanol corresponding to 100 % test substance was assumed, with the density reported in section 4.4 taken as the quantitative value) and the solubility in water (section 4.8). The log Pow of the test substance is 5.3 at 20 °C.
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- For details on endpoint-specific justification, please see read-across justification document (analogue approach) in section 13.
- Reason / purpose for cross-reference:
- assessment report
- Reason / purpose for cross-reference:
- read-across source
- Partition coefficient type:
- octanol-water
- Type:
- Pow
- Partition coefficient:
- 1 291.8
- Temp.:
- 20 °C
- Remarks on result:
- other: RA from C16-DMA HCl: mildly acidic (salt of a medium strength base and a strong acid), pH not measured
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.11
- Temp.:
- 20 °C
- Remarks on result:
- other: RA from C16-DMA HCl: mildly acidic (salt of a medium strength base and a strong acid), pH not measured
- Executive summary:
The study used as source investigated the log Pow at 20 °C for C16-DMA hydrochloride. The study results of the source substance were considered applicable to the target substance. Justification and applicability of the read-across approach (structural analogue) is outlined in the read-across report in section 13.
Referenceopen allclose all
Calculation:
log Pow = log (density/water solubility)
(see sections 4.4 and 4.8 and below).
Density [g/L] |
804.7 |
Water solubility [g/L] |
0.004 |
Description of key information
Partition coefficient for the free amine (DMA): log Pow 5.3 (20 °C; pH 8.0);
Partition coefficient for the DMA hydrochloride (environmentally most relevant): log Pow 3.31 (20 °C).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.31
- at the temperature of:
- 20 °C
Additional information
Partition coefficient values (n-octanol/water) are difficult to measure for substances that exhibit surface-active properties under environmental conditions, such as the members of the DMA category (N,N-dimethyl-alkyl-1-amines, carbon chain lengths: C10 to C18). In fact, both the HPLC method and the flask method for the determination of log Pow are not applicable to these substances according to ECHA guidance document R.7a (2017) and test method A.8 of Regulation (EC) No 440/2008.
Therefore, Pow values were calculated on the basis of the measured solubility in water and the measured solubility in n-octanol as suggested according to ECHA guidance document R.7a and test method A.8 for surface-active substances.
Two approaches were followed:
1) Calculation of log Pow for the hydrochlorides of DMAs (DMA HCl), i.e. from the solubility of the free (neutral) amine in n-octanol and the solubility of the protonated hydrochloride (surface-active) in water. The hydrochloride is the environmentally more relevant form at pH values ≤ 7 (pKa 9.78, independent of the chain length).
2) Calculation of log Pow for the free amine from the solubility of the free amines (neutral amines; registered substances) in n-octanol and water. The solubility of the free amine in water depends on the prevailing pH value. Solubility in water decreases pronouncedly at pH values > 7.
The calculation approach was applied in both cases, in order to allow comparisons to be made.
For the surface-active (protonated) form of the DMA category members (hydrochlorides, DMA HCl), the critical micelle concentration (CMC) rather than the water solubility was used to avoid artificially low log Pow values. This approach is in agreement with the one proposed in ECHA guidance document R.7a (2017).
In water - for both, the DMA hydrochlorides and the free DMAs - there will be an equilibrium between the dimethyl-alkyl-ammonium cation (salt with chloride in case of DMA HCl) and the free amine plus a proton (HCl in case of the hydrochlorides). The position of the equilibrium is determined by the pKa of the base (i.e. 9.78, independent of the chain length) and the pH of the solution according to the Henderson-Hasselbach equation. Because at pH 7 and a pKa of 9.78, 99.8% are protonated, the log Kow value determined for the DMA HCl is regarded to be environmentally most relevant and given as the key value.
Summary of log Kow values of DMAs and DMA hydrochlorides
Substance | log Kow_Hydrochloride | log Kow_Hydrochloride | log Kow_Amine | log Kow QSAR_neutral |
C10-DMA | 1.95 | -- | 4.3 | 4.08 |
C12-DMA | 2.33 | -- | 4.3 | 4.92 |
C14-DMA | 2.72 | -- | 4.5 | 6.08 |
C16-DMA | 3.11 | -- | 4.6 | 6.99 |
C18-DMA | 3.51 | -- | 5.1 | 7.90 |
Range (RA) | AM mean | |||
C12-14-DMA | 2.33 - 2.72 | 2.53 | 4.7 | -- |
C12-16-DMA | 2.33 - 3.11 | 2.72 | 4.9 | -- |
C12-18-DMA | 2.33 - 3.51 | 2.92 | 5.0 | -- |
C16-18u-DMA | 3.11 - 3.51 | 3.31 | 5.1 | -- |
C16-18-DMA | 3.11 - 3.51 | 3.31 | 5.3 | -- |
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