Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 947-726-2 | 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
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EPISUITE v4.11
2. MODEL (incl. version number)
BIOWIN v4.10
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Trimethyl-dodecyl ammonium [Cl-].C[N+](C)(C)CCCCCCCCCCCC
Trimethyl-tridecyl ammonium [Cl-].C[N+](C)(C)CCCCCCCCCCCCC
Trimethyl-tetradecyl ammonium [Cl-].C[N+](C)(C)CCCCCCCCCCCCCC
Trimethyl-pentadecyl ammonium [Cl-].C[N+](C)(C)CCCCCCCCCCCCCCC
Trimethyl-hexadecyl ammonium [Cl-].C[N+](C)(C)CCCCCCCCCCCCCCCC
Trimethyl-octadecyl ammonium [Cl-].C[N+](C)(C)CCCCCCCCCCCCCCCCCC
Dimethyl-didodecyl ammonium (C 26) [Cl-].CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC
Dimethyl-ditridecyl ammonium (C 28) [Cl-].CCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCC
Dimethyl-ditetradecyl ammonium (C 30) [Cl-].CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC
Dimethyl-dipentadecyl ammonium (C 32) [Cl-].CCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCC
Dimethyl-dihexadecyl ammonium (C 34) [Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC
Dimethyl-dioctadecyl ammonium (C 38) [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC
Tridodecyl-methyl ammonium (C 36) [Cl-].CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC
Tritridecyl-methyl ammonium (C 39) [Cl-].CCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCC)CCCCCCCCCCCCC
Tritetradecyl-methyl ammonium (C 42) [Cl-].CCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
Tripentadecyl-methyl ammonium (C 45) [Cl-].CCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
Trihexadecyl-methyl ammonium (C 48) [Cl-].CCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
Trioctadecyl-methyl ammonium (C 54) [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint:
Aerobic and anaerobic biodegradation
for further details see attached information
5. APPLICABILITY DOMAIN
- Descriptor domain:
Molecular weight, structural features
- Similarity with analogues in the training set:
When a structure contained none of the fragments occurring in the training or validation sets of the 7 used models, for which coefficients were developed, the program could not estimate the probability. With the inclusion of the molecular weight parameter, estimates are possible for all structures. Thus, exceeding molecular weight reveales unreliable predictions. Since the substance contains fragments which are included in either the training set or the validation set predictions are considered to be reliable.
6. ADEQUACY OF THE RESULT
The substance falls within the range of reliable predictivity (molecular weight of the constituents ranging from 229.45 to 790.54 g/mol, weighted mean ca. 467 g/mol). Quaternary amines are contained in the trainign set. Therefore, the result of the estimation is considered to be sufficient to fulfil the information requirements. - Principles of method if other than guideline:
- prediction of biodegradation using Episuite v4.11, BioWin v4.10
- GLP compliance:
- no
- Oxygen conditions:
- aerobic/anaerobic
- Key result
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- Di-C12-18 alkyldimethyl ammonium chloride is predicted to be not readily biodegradable (Episuite v4.11, BioWin v4.10).
Reference
Ready Biodegradability Prediction: (YES or NO)
----------------------------------------------
Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey model) result is "weeks" or faster (i.e. "days", "days to weeks", or "weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then the prediction is YES (readily biodegradable). If this condition is not satisfied, the prediction is NO (not readily biodegradable). This method is based on application of Bayesian analysis to ready biodegradation data (see Help). Biowin5 and 6 also predict ready biodegradability, but for degradation in the OECD301C test only; using data from the Chemicals Evaluation and Research Institute Japan (CERIJ) database.
Constituent |
Results of single models |
Ready Biodegradability Prediction: |
Trimethyl-dodecyl ammonium |
Biowin1 (Linear Model Prediction) : Biodegrades Fast Biowin2 (Non-Linear Model Prediction): Biodegrades Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks Biowin4 (Primary Biodegradation Timeframe): Days-Weeks Biowin5 (MITI Linear Model Prediction) : Does Not Biodegrade Fast Biowin6 (MITI Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast |
no |
Trimethyl-tridecyl ammonium |
Biowin1 (Linear Model Prediction) : Biodegrades Fast Biowin2 (Non-Linear Model Prediction): Biodegrades Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks Biowin4 (Primary Biodegradation Timeframe): Days-Weeks Biowin5 (MITI Linear Model Prediction) : Does Not Biodegrade Fast Biowin6 (MITI Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast |
no |
Trimethyl-tetradecyl ammonium |
Biowin1 (Linear Model Prediction) : Biodegrades Fast Biowin2 (Non-Linear Model Prediction): Biodegrades Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks Biowin4 (Primary Biodegradation Timeframe): Days-Weeks Biowin5 (MITI Linear Model Prediction) : Does Not Biodegrade Fast Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast |
No |
Trimethyl-pentadecyl ammonium |
Biowin1 (Linear Model Prediction) : Biodegrades Fast Biowin2 (Non-Linear Model Prediction): Biodegrades Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks Biowin4 (Primary Biodegradation Timeframe): Days-Weeks Biowin5 (MITI Linear Model Prediction) : Does Not Biodegrade Fast Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast |
No |
Trimethyl-hexadecyl ammonium |
Biowin1 (Linear Model Prediction) : Biodegrades Fast Biowin2 (Non-Linear Model Prediction): Biodegrades Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks Biowin4 (Primary Biodegradation Timeframe): Days-Weeks Biowin5 (MITI Linear Model Prediction) : Does Not Biodegrade Fast Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast |
No |
Trimethyl-octadecyl ammonium |
Biowin1 (Linear Model Prediction) : Biodegrades Fast Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months Biowin4 (Primary Biodegradation Timeframe): Days-Weeks Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast |
No |
Dimethyl-didodecyl ammonium (C 26) |
Biowin1 (Linear Model Prediction) : Biodegrades Fast Biowin2 (Non-Linear Model Prediction): Biodegrades Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks Biowin4 (Primary Biodegradation Timeframe): Days Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast |
Yes |
Dimethyl-ditridecyl ammonium (C 28) |
Biowin1 (Linear Model Prediction) : Biodegrades Fast Biowin2 (Non-Linear Model Prediction): Biodegrades Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks Biowin4 (Primary Biodegradation Timeframe): Days-Weeks Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast |
Yes |
Dimethyl-ditetradecyl ammonium (C 30) |
Biowin1 (Linear Model Prediction) : Biodegrades Fast Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months Biowin4 (Primary Biodegradation Timeframe): Days-Weeks Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast |
No |
Dimethyl-dipentadecyl ammonium (C 32) |
Biowin1 (Linear Model Prediction) : Biodegrades Fast Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months Biowin4 (Primary Biodegradation Timeframe): Days-Weeks Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast |
No |
Dimethyl-dihexadecyl ammonium (C 34) |
Biowin1 (Linear Model Prediction) : Biodegrades Fast Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months Biowin4 (Primary Biodegradation Timeframe): Days-Weeks Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast |
No |
Dimethyl-dioctadecyl ammonium (C 38) |
Biowin1 (Linear Model Prediction) : Biodegrades Fast Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months Biowin4 (Primary Biodegradation Timeframe): Days-Weeks Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast |
No |
Tridodecyl-methyl ammonium (C 36) |
Biowin1 (Linear Model Prediction) : Biodegrades Fast Biowin2 (Non-Linear Model Prediction): Biodegrades Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks Biowin4 (Primary Biodegradation Timeframe): Days Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast |
Yes |
Tritridecyl-methyl ammonium (C 39) |
Biowin1 (Linear Model Prediction) : Biodegrades Fast Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months Biowin4 (Primary Biodegradation Timeframe): Days Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast |
No |
Tritetradecyl-methyl ammonium (C 42) |
Biowin1 (Linear Model Prediction) : Biodegrades Fast Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months Biowin4 (Primary Biodegradation Timeframe): Days-Weeks Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast |
No |
Tripentadecyl-methyl ammonium (C 45) |
Biowin1 (Linear Model Prediction) : Biodegrades Fast Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months Biowin4 (Primary Biodegradation Timeframe): Days-Weeks Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast |
No |
Trihexadecyl-methyl ammonium (C 48) |
Biowin1 (Linear Model Prediction) : Biodegrades Fast Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months Biowin4 (Primary Biodegradation Timeframe): Days-Weeks Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast |
No |
Trioctadecyl-methyl ammonium (C 54) |
Biowin1 (Linear Model Prediction) : Biodegrades Fast Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months Biowin4 (Primary Biodegradation Timeframe): Days-Weeks Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast |
no |
Description of key information
not readily biodegradable (Episuite v4.11, BioWin v4.10)
Key value for chemical safety assessment
- Biodegradation in water:
- inherently biodegradable
Additional information
Di-C12-18 alkyldimethyl ammonium chloride is predicted to be not readily biodegradable (Episuite v4.11, BioWin v4.10).
Supporting data are available for a structurally closely related substance. A justification for read-across is attached to IUCLID section 13.
Results on biodegradation of DODMAC are summarised in EU RAR, 2002 "It is shown in several tests that DODMAC/DHTDMAC are not readily biodegradable and there is no standard guideline test from which inherent biodegradability could be concluded.
Adaptation seems to be necessary for significant degradation but even then mineralisation is very slow. In river water tests with adapted inocula degradation is occurring with a half-life in the range of several weeks. In two cases degradation discontinued after 63 days reaching approx. 10% at a lower and 20% at a higher DODMAC concentration. In another study a degradation half-life of approx. 80 days could be derived. Based on these results a degradation constant kbiowater = 0.0047 d-1 can be extrapolated for surface water, which would correspond to inherently biodegradable substances (DT50 = 150 days). With this value it is taken into account that the lower DODMAC concentrations in surface waters are degraded slower than in the cited tests probably. DT50-values of <80 days from river water tests with added adapted sediment reveal situations where the concentration of biodegrading microorganisms is increased over the normal level. Therefore these results can not be used for the derivation of the degradation rate constant in surface waters. Most of the data referring to the elimination in wastewater treatment plants do not distinguish between biodegradation and adsorption."
Elimination ranged from 70 to 95% in different tests; the elimination is mainly attributable to adsorption.
[Type of water: freshwater]
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.