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EC number: 629-716-7 | CAS number: 1211950-04-7
- 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

Endpoint summary
Administrative data
Link to relevant study record(s)
Description of key information
Key information:
Due to lack of quantitative data, absorption rates of 100% are indicated for all three routes in order to express that there is no difference of absorption expected between the different routes of exposure. Especially for dermal exposures this represents a very conservative approach. Available studies do not indicate a concern for bioaccumulation.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
- Absorption rate - oral (%):
- 100
- Absorption rate - dermal (%):
- 100
- Absorption rate - inhalation (%):
- 100
Additional information
Diamine quaternised C16-18, C18 unsaturated (CAS 1211950-04-7, N,N,N',N',N'-Pentamethyl-N-C16-18(even numbered)C18 unsatured-alkyl-1,3 propanediammonium chloride). Also identified with CAS 68607-29-4,N,N,N',N'.N''-Pentamethyl-N-tallowalkyl-1,3-propanediammonium chloride.
There are no available studies on the toxicokinetics of N,N,N',N',N'-Pentamethyl-N-C16-18(even numbered)C18 unsatured-alkyl-1,3 propanediammonium chloride, i.e. (Diamine quaternised C16-18, C18 unsaturated). The toxicokinetic parameters were therefore derived based on a read-across approach from other quaternary amines, didecyldimethylammonium chloride (DDAC, CAS: 7173-51-5), and C12-16-alkyldimethylbenzylammonium chloride (BKC, CAS: 68424-85-1. These substances share common structural features, most importantly the carbon chain (C12-C18) and a nitrogen group with varying degrees of substitution. The charge of the N atom is dependent on the degree of substitution and is expected to potentially impact the toxicokinetics of these substances. Further justification for read-across approach is included in the discussion below.
Absorption
These substances are absorbed from the GI tract to a relatively low degree. A study performed according to OECD 417 with DDAC indicated absorption of less than 5%, while a study performed with a diamine, CAS: 68603-64-5, also indicated a very low level of absorption. Absorption from the GI tract is dependent on many variables. However, the quaternary diamine is expected to follow similar uptake as indicated above as the carbon chain will most likely be the determining factor in uptake. As this substance has a +2 charge (the highest of these substances), transport across biological membranes is most likely further reduced which again would reduce oral absorption and bioavailability.
However, based on lack of quantitative data, and for comparative analysis for absorption over different routes, the oral absorption is set at 100%.
At this stage no data are available on dermal absorption. Itis not expected to easily pass the skin in view of its ionised form at physiological conditions.Based on the severe corrosive properties, dermal absorption as a consequence of facilitated penetration through damaged skin can be anticipated.
Although dermal absorption is not expected at any considerable rate, also the absorption via dermal out is set at 100% as conservative approach.
Also for inhalationno data are available on absorption, and100% is proposed as worst case. With a very low vapour pressure, the potential for inhalation is limited. Relevant (in view of possible systemic absorption) exposures are only possible as aerosol. If any inhalation from aerosols does occur, this can only be in the form of larger droplets, as the use does not include fine spraying. Droplets will deposit mainly on upper airways, and will be subsequently swallowed following mucociliary transportation to pharynx. This results to no principal difference in absorption compared oral route.
Absorption via respiratory route is therefore also set at 100%.
Distribution
Neither of these substances are well distributed in tissues. The diamine, CAS: 68603-64-5, and DDAC were identified primarily associated with the intestinal mucosa. This was confirmed with BKC. Quantifiable levels were identified in some tissues, but generally at very low concentrations and not of toxicologically relevant concentrations. These observations suggest that the degree of substitution of the N-atom, and the corresponding charge, in itself is most likely not a determining factor in distribution. Accordingly, it is justified to conclude that the quaternary diamine would follow a similar distribution pattern.
Excretion
Data on DDAC and BKC indicate that excretion is rapid and primarily in the faeces and with a minor contribution from urine. Both substances were generally eliminated within 48-72 hours. Accordingly, the bioaccumulation potential in mammals is considered to be low. No data is available on the diamine, CAS: 68603-64-5.
Metabolism
The only available information on metabolism comes from studies on DDAC. The majority of this substance underwent oxidation in a process similar to beta-oxidation of fatty acids. Less than 20% of radioactivity was eliminated as parent compound. It is believed that oxidation occurs via an initial hydroxylation of the carbon adjacent to the terminal carbon, which is then followed by formation of a hydroxyketone. All metabolites were more soluble and presumed to be of less toxicity than the parent compound. A small percentage also underwent conjugation to either the glucuronide or the sulphate. This will also enhance solubility. The most likely metabolic pathway of the quaternary diamine is a partial oxidation of the carbon chain similar as to for DDAC.
Overall, these substances demonstrate a relatively similar toxicokinetic profile with low oral absorption, low tissue distribution, oxidative metabolism of the carbon chain, and primarily faecal excretion. Furthermore, there does not seem to be a significant impact of the positively charged N-atom on these parameters. In conclusion, the structural similarity of the quaternary diamine to DDAC, BKC and the diamines, and the similar toxicokinetic parameters seen within toxicokinetic studies of these substances, suggests that a read-across is appropriate.
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