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Diss Factsheets
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EC number: 695-101-5 | CAS number: 1275611-65-8
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The procedures applied are according to the REACH guidance the most appropriate way of assessing the bioaccumulation potential of the specific substances under consideration.
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- EPIweb QSAR based on a measured Log Kow which is based on the ratio between the octanol solubililty and CMC.
- GLP compliance:
- no
- Radiolabelling:
- no
- Vehicle:
- no
- Test organisms (species):
- other: QSAR
- Type:
- BCF
- Value:
- 70.8 L/kg
- Basis:
- other: QSAR calculation
- Remarks:
- protonated
- Type:
- BCF
- Value:
- 9.36 L/kg
- Basis:
- other: QSAR
- Remarks:
- Non-protonated
- Conclusions:
- The procedures applied are according to the REACH guidance the most appropriate way of assessing the bioaccumulation potential of the specific substances under consideration.
- Executive summary:
Based on a measured log Kow of 4.06 (ratio of CMC/solubility in Octanol) a log BCF is calculated of 1.85 for the protonated diamine methylated and 0.97 for the non-protonated amine.
Reference
BCFBAF Program (v3.01) Results:
==============================
SMILES : CCCCCCCCC=CCCCCCCCCN(C)CCCN(C)(C)(H)
CHEM : Diamines methylated (C18= protonated)
MOL FOR: C24 H51 N2
MOL WT : 367.69
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 1.85 (BCF = 70.8 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.429 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 2.20 (BAF = 158 L/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 4.06 (user entered)
Equation Used to Make BCF estimate:
Log BCF = 1.85 (Ionic; 11 or more -CH2- groups)
Estimated Log BCF = 1.850 (BCF = 70.79 L/kg wet-wt)
BCFBAF Program (v3.01) Results:
==============================
SMILES : CCCCCCCCC=CCCCCCCCCN(C)CCCN(C)(C)
CHEM : Diamines methylated (C18=)
MOL FOR: C24 H50 N2
MOL WT : 366.68
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 0.97 (BCF = 9.36 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.0712 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 1.48 (BAF = 30.3 L/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 4.06 (user entered)
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
Alkyl chains (8+ -CH2- groups) -1.374
Estimated Log BCF = 0.971 (BCF = 9.365 L/kg wet-wt)
Description of key information
Considering the fate properties of the substance, poorly water soluble, strongly sorbing and ready biodegradable, OECD 305 -I, II and III testing is considered to be not technically feasible and should be waived according to annex XI (section 2) of REACh regulation EC 1907/2006.
As an alternative the BCF was calculated using the measured log Kow. The log Kow value available has been calculated from the ratio of the octanol solubility and CMC. This value can be used as a worst-case log Kow and is considered acceptable. The BCF was calculated using the BCFBAF v3.0 estimation program as included in EPIweb v4.0. Based on a measured log Kow value of 4.06 a BCF is calculated of 70.8 L/kg ww for the protonated N-C16-18-alkyl-(even numbered, C18 unsaturated) trimethylpropane-1,3-diamine and 9.36 L/kg for the non-protonated molecule.
Key value for chemical safety assessment
- BCF (aquatic species):
- 70.8 L/kg ww
Additional information
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.