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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 308-757-1 | CAS number: 98246-84-5
- 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
Description of key information
Additional information
EPISuite predictions:
Substance name: 39947_Guanidine,C12-C16(even numbered),N,N'''-1,3-propanediylbis derivatives acetate
EC number: 308-757-1
CAS number: 98246 -84 -5
Chemical structures and SMILES notations for C12 analogue
1 -(C12 -18 -(even numbered))-alkyl-tetrahydropyrimidin-2(1H)-imine acetate salt
N=C1NCCCN1CCCCCCCCCCCC
1-(3-((C12-18-(even numbered))-alkyl-amino)propyl)guanidine acetate salt
NC(=N)NCCCNCCCCCCCCCCCC
1-(C12-18-(even numbered))-alkyl-1-(3-guanidinopropyl) guanidine acetate salt
NC(=N)NCCCN(CCCCCCCCCCCC)C(=N)N
QSAR Biodeg predictions (in EPA's EPISuite):
Table 1. Predictions in EPISuite for 1-(C12-18-(even numbered))-alkyl-tetrahydropyrimidin-2(1H)-imine acetate salt considering even-numbered C12-C18 chain lengths
|
C12 |
C14 |
C16 |
C18 |
Biowin1 (Linear model prediction) |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
Biowin2 (Non-linear model prediction |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
Does not biodegrade fast |
Biowin3 (Ultimate biodegradation timeframe) |
Weeks |
Weeks |
Weeks |
Weeks-months |
Biowin4 (Primary biodegradation timeframe) |
Days-Weeks |
Days-Weeks |
Days-Weeks |
Days-Weeks |
Biowin5 (MITI linear model prediction) |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
Biowin6 (MITI Non-linear model prediction) |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
Biowin7 (Anaerobic model prediction) |
Does not biodegrade fast |
Does not biodegrade fast |
Does not biodegrade fast |
Biodegrades fast |
Table 2. Predictions in EPISuite for 1-(3-((C12-18-(even numbered))-alkyl-amino)propyl)guanidine acetate salt
|
C12 |
C14 |
C16 |
C18 |
Biowin1 (Linear model prediction) |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
Biowin2 (Non-linear model prediction |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
Does not biodegrade fast |
Biowin3 (Ultimate biodegradation timeframe) |
Weeks |
Weeks |
Weeks |
Weeks-months |
Biowin4 (Primary biodegradation timeframe) |
Days-Weeks |
Days-Weeks |
Days-Weeks |
Days-Weeks |
Biowin5 (MITI linear model prediction) |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
Biowin6 (MITI Non-linear model prediction) |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
Biowin7 (Anaerobic model prediction) |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades fast |
Table 3. Predictions in EPISuite for 1-(C12-18-(even numbered))-alkyl-1-(3-guanidinopropyl) guanidine acetate salt
|
C12 |
C14 |
C16 |
C18 |
Biowin1 (Linear model prediction) |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
Biowin2 (Non-linear model prediction |
Biodegrades Fast |
Does not biodegrade fast |
Does not biodegrade fast |
Does not biodegrade fast |
Biowin3 (Ultimate biodegradation timeframe) |
Weeks |
Weeks-Months |
Weeks-Months |
Weeks-Months |
Biowin4 (Primary biodegradation timeframe) |
Days-Weeks |
Days-Weeks |
Days-Weeks |
Days-Weeks |
Biowin5 (MITI linear model prediction) |
Does not biodegrade fast |
Does not biodegrade fast |
Does not biodegrade fast |
Does not biodegrade fast |
Biowin6 (MITI Non-linear model prediction) |
Does not biodegrade fast |
Does not biodegrade fast |
Does not biodegrade fast |
Does not biodegrade fast |
Biowin7 (Anaerobic model prediction) |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
Biodegrades Fast |
GENERAL REMARKS
Issues in Biodegradation testing of the registration substance
The registration substance is toxic to microorganisms and therefore the test concentration in biodegradation tests have to be sufficiently low to ensure the viability of the inoculum.This means that 14C test item would be the test material of choice. As the registration substance is a UVCB the preparation of a representative 14C material is not feasible. Therefore cold material has to be used which poses a considerable analytical challenge at very low concentration. On the other hand results from similar mono-constituent 14C substances can be reasonably used for read-across.
Read across substances
The registration substance has structural elements like long-chain ammonium and alkyl guanidinium salts. Such structural elements are present in long-chain primary alkyl amines and in guanidinium salts. In the following read-across substances are listed which are all REACH registered and where the substance data can be found on the Dissemination site of ECHA ( http://echa.europa.eu/
information-on-chemicals) or at the EU ESIS site ( http://esis.jrc.ec.europa.eu):
Gudanidinium nitrate, CAS No, 506 -93 -4
1-Hexadecanamine, CAS No. 143 -27 -1
Cocoylamines (C12 -14 Primary alkyl amines), CAS No. 61788 -46 -3
C20 -22 alkyl trimethyl ammonium chloride, CAS No. 68607-24-9
BIODEGRADATION IN WATER: SCREENING TESTS
The registration substance is toxic to microorganisms and the required minimum test concentration of e.g. 5 mg/L in a test on ready biodegradation is too high to allow conditions which are not influencing the viability of the inoculum. As it is not feasible to prepare 14C material of the registration substance (see above) a test at lower concentration could not be performed. Instead read-across is used to justify the conclusion that the registration substance is readily biodegradable:
14C-C22 alkyl trimethyl ammonium chloride (see IUCLID Chapter 5.2.1):
OECD 301 B CO2 Evolution test, 0.2 mg/L test conc.: 80% 14CO2 formation after 28d
C12 -14 alkyl amines (see IUCLID Chapter 5.2.1):
OECD 301B CO2 Evolution test, 13 mg/L test conc. : >60% CO2 formation after 29d, readily biodegradable
Guanidinium nitrate (see ESIS web, CAS 506 -93 -4)
14C Guanidinium nitrate (no concentration given) was incubated with industrial sewage as inoculum and showed 68% 14CO2 formation after 1.3 days.
CONCLUSION
Based on the available facts (see above), it can be concluded that the registration substance is likely to be readily biodegrable if the concentration of the registration substance is low enough to ensure the viability of the inoculum.
BIODEGRADATION IN WATER & SEDIMENT
SEWAGE TREATMENT PLANT SIMULATION TEST
An OECD 303A STP Simulation test is carried out with cold registration substance. This is a considerable analytical challenge as low test concentration is warranted due to the high toxicity for microoganisms. For the time being read-across is used (see IUCLID Chapter 5.2.2):
C20 -22 alkyl trimethyl ammonium chloride (see IUCLID Chapter 5.2.2)
OECD 303 A: Mean elimination: 99%, mean biodegradation: 92.2% (6.9% sorbed to sludge, 1% to effluent)
Cocoylamines (C12 -14 Primary alkyl amines, see IUCLID Chapter 5.2.2)
OECD 303A: Mean elimination: 99.8%, mean biodegradation: not measured
SIMULATION TEST ON BIODEGRADATION IN SEDIMENT
It is reasonable to use the DT50 of the soil biodegradation simulation test for sediment as well (see REACH Guidance) and therefore no OECD 308 Sediment simulation test is warranted.
OECD 307: highest DT50 soil is 45.5 d at 12 deg C
CONCLUSION
STP
The results from the OECD303A with C20 -22 ATQ is used as worst case for the registration substance resulting in 92.2% biodegradation, 6.9% sorption to sewage sludge and 1% discharge in effluent.
SEDIMENT
The DT50 of 45.5 d from an OECD 307 soil study with C20 -22 alkyl trimethyl ammonium chloride is used a worst case for the registration substance.
BIODEGRADATION IN SOIL
For a Soil biodegradation simulation test according OECD 307 14C material is mandatory to achieve reliable results. As mentioned before the registration substance is a multi-constituent and the synthesis of a representative 14C material not feasible. Therefore read-across is the only way to conclude on soil biodegradation:
14C-C22 alkyl trimethyl ammonium chloride (see IUCLID Chapter 5.2.3)
OECD 307: highest DT50 is 45.5 d at env. temperature 12 deg C is used in exposure assessment of the registration substance
14C-1 -Hexadecanamine (see IUCLDI Chapter 5.2.3)
OECD 307: highest DT50 is 17 d at env. temperature 12 deg C
CONCLUSION
EPISuite predicts ready biodegradabiliy. In addition both read-across substances show rapid degradation in soil. The worst case result from the OECD 307 carried out with 14C-C22 alkyl trimethylammonium chloride which is DT50 45.4 d at 12 deg C is used in exposure assessment of the registration substance.
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.