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EC number: 952-252-4 | CAS number: -
- 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)
Description of key information
Alkyl phosphate and stearyl amine salts (EC = 952-252-4) are mainly composed by primary alkylamines (CAS 90640-32-7, UVCB), Monoalkyl dihydrogenophosphate and Dialkyl hydrogenophosphate salts (CAS 39471-52-8, Multi-Constituent). This different chemical structures are constituted by variable chain lenght with C16 and C18.
For primary alkylamines, a weight of evidence is based on available studies. The highest log Pow value (4.33) is resulting for(Z)-Octadec-9-enylamine, and this value is used as the worst-case key value.
Phosphoric acid, octadecyl ester (CAS 39471-52-8) has a log Kow value less than 0.3 to 2.31 according to a TG OECD 117 and GLP study.
Moreover, it is of importance to note that a new study on partition coefficient (log Kow) on the registered salt, the Alkyl phosphate and stearyl amine salts (EC = 952-252-4) is not technically feasible according to its high insolubility in water and octanol. Even if the log kow is waived for the overall registered salt, a log kow value information is reported because it is essential for CSA, classification and labelling and PBT assessment (according REACH guidance document R7a section R.7.1.8 page 76).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4
- at the temperature of:
- 20 °C
Additional information
For primary alkylamines, a weight of evidence is based on various studies performed under technical guidelines OCDE. Alkylamines are difficult substances with regard to the determination of the partitioning coefficient n-octanol water: the compounds are strong bases (pKa 10.6), such that at neutral pH (pH 7) these compounds are ionised (primary ammonium ion) by 99.98%. The resulting primary ammonium derivative is surface active.
In the Chapter R.7A of the REACH guidance (Section R.7.1.8.3; Guidance on regulatory compliant Kow determination for surfactants), it is indicated that none of the experimental methods is very well suited for determining the Kow of surface active chemicals.
The slow stirring method (OECD 123) seems to be the best in theory, but still not demonstrated to be perfect. Indeed, due to the physico-chemical properties of surfactants, specifically their tendency to either accumulate at the octanol/water interface or to coat the surfaces of the above-described HPLC adsorbent phase, the log Kow of surfactants cannot be accurately measured for these substances.
According to the REACH guidance Chapter R.7a v6 (July 2017), the ratio solubility in octanol / solubility in water is acceptable for such compounds. The present weight of evidence approach follows this recommendation. Given the equilibrium in water between the alkyl ammonium ion and the free amine, relevant for octanol solubility is the one determined from the free amine (uncharged).
To choose a relevant worst-case key value for risk assessment, the following table presents available experimentally determined water solubilities (CMCs) of alkylamine hydrochlorides, together with experimental values for octanol solubilities of their respective free amine. Resulting calculated partition coefficients n-octanol/water are given in the table:
Table 1: Resulting partition coefficient n-octanol water (Pow) calculated from water solubilities (alkyl amine hydrochlorides) and n-octanol solublities (free amines):
Substance name | Solubility in octanol (20°C) [g/L] | Reference | Solubility in water (25°C) (CMC) [g/L] | Reference | Pow | log Pow |
Dodecylamine | 539 | Clariant, 2009j | 3.5 | Clariant, 2008e | 154.00 | 2.19 |
Tetradecylamine | 310 | Clariant, 2009k | 0.69 | Clariant, 2009r | 449.28 | 2.65 |
Hexadecylamine | 148 | Clariant, 2009i | 0.063 | Clariant, 2010v | 2349.21 | 3.37 |
Octadecylamine | 126 | Clariant, 2009g | 0.013 | Clariant, 2010w | 9692.31 | 3.99 |
(Z)-Octadec-9-enylamine | 813 | Clariant, 2009h | 0.038 | Clariant, 2009q | 21394.74 | 4.33 |
As could be expected, a clear increasing trend for Pow becomes obvious with increasing carbohydrate chain length.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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