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Diss Factsheets
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EC number: 203-183-7 | CAS number: 104-19-8
- 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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2007
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE: EPISUITE 4.11
2. MODEL (incl. version number): KOCWIN v2.00
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Where applicable, the following conditions were entered into the methods.
Molecular formula: C6 H16 N2 O1
SMILES Notation: CN(CCCN)CCO
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Full details of the model can be find in the KOCWIN User's Guide, US Environmental Protection Agency. Office of Chemical Safety and Pollution Prevention, 1200 Pennsylvania Ave, N.W. Washington DC, 20460-0001, USA.
http://epa.gov/oppt/exposure/pubs/episuite.htm
5. APPLICABILITY DOMAIN
The Koc was estimated using the EPI Suite v4.11 QSAR method. See attached QMRF.
6. ADEQUACY OF THE RESULT
Substance falls within the boundaries of the model. See attached QPRF. - Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Meylan, W., P.H. Howard and R.S. Boethling. 1992. Molecular topology/fragment contribution method for predicting soil sorption coefficients. Environ. Sci. Technol. 26: 1560-1567.
- Type:
- Koc
- Value:
- 0.438 L/kg
- Remarks on result:
- other: QSAR cal based on KOW method
- Type:
- Koc
- Value:
- 4.751 L/kg
- Remarks on result:
- other: QSAR cal based on MCI method
- Type:
- log Koc
- Value:
- -0.359
- Remarks on result:
- other: QSAR cal based on KOW method
- Type:
- log Koc
- Value:
- 0.677
- Remarks on result:
- other: QSAR cal based on MCI method
- Conclusions:
- The Koc and log Koc values of substance were calculated using KOCWIN v2.00. The log Koc was -0.3589 and 0.6768, the Koc was determined to be 0.4376 and 4.751 based on the Kow method and MCI method, respectively.
Reference
Description of key information
Testing was not carried out with the substance using Method C.19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001, as they were considered not applicable as an assessment of the test item indicated that it would be ionized across the environmentally relevant pH range (pH 5 to 7).
Therefore, the Koc and log Koc values of the substance were calculated using KOCWIN v2.00. The log Koc was -0.359 and 0.677 based on the Kow method and MCI method respectively (corresponding to Koc values of 0.44 and 4.75 respectively).
Key value for chemical safety assessment
- Koc at 20 °C:
- 4.75
Additional information
The Koc and log Koc values of substance were calculated using EPIWIN (KOCWIN v2.00) based on Kow and MCI methods.
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.