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EC number: 458-680-3 | CAS number: 797751-44-1 WASOX-VMAC2
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- April 21, 2005
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- According to OECD Guideline 107, with GLP.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- GLP compliance:
- yes
- Type of method:
- other: shake flask and HPLC methods
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Remarks on result:
- not determinable because of methodological limitations
- Remarks:
- (the test substance is a mixture of several compounds for which the shake-flask method is not applicable)
- Key result
- Type:
- log Pow
- Remarks on result:
- not determinable because of methodological limitations
- Remarks:
- ( the test substance reacts with water (eluent), and in this case the HPLC method is not applicable)
- Conclusions:
- The partition coefficient n-octanol/water assay for the test material according to the guideline methods, shake flask method or high performance liquid chromatography (HPLC), could not be performed.
- Executive summary:
The partition coefficient n-octanol/water assay for the test material according to the guideline methods, shake flask method or high performance liquid chromatography (HPLC), could not be performed because:
1) the test substance rapidly degrades with a half-life time of <1 hour at 25 °C.
2) the test substance is a mixture of several compounds for which the shake-flask method is not applicable.
3) the test substance reacts with water (eluent), and in this case the HPLC method is not applicable.- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- April 21, 2005
- 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
- Remarks:
- Internationally accepted method, EPI Suite, EPA (USA)
- Justification for type of information:
- See attached QSAR supporting information
- Principles of method if other than guideline:
- Calculation by KOWWIN v. 1.67, contained in the EPI Suite v·.12 programme of the U.S. Environmental Protection Agency
- Specific details on test material used for the study:
- SMILES of components:
acetone O,O'-[methoxy(vinyl)silanediyl]oxime (VMAC2): CC( C)= NO[Si] (/C([H])=C([H])\[H])( OC)O N =C( C)C
acetone O,O',O''-(vinylsilanetriyl)oxime (VAC3): CC( C)= NO[Si] (/C( [H] )=C([H] )\[H]) (0 N=C( C)C)O N=C( C )C
acetone O-[dimethoxy(vinyl)silyl]oxime (VM2AC): CC(C)=NO[Si](/C([H])=C([H])\[H]) (OC)OC - Type:
- log Pow
- Partition coefficient:
- >= 2.7 - <= 8.7
- Remarks on result:
- other: Data on temp. not given.
- Conclusions:
- The calculated decadic logarithms of Powfor the 3 main components of the test substance were: acetoneO,O'-[methoxy(vinyl)silanediyl]oxime: 5.7; acetoneO,O',O''-(vinylsilanetriyl)oxime: 8.7 and acetoneO-[dimethoxy(vinyl)silyl]oxime: 2.7 .
- Executive summary:
Using the software KOWWIN v. 1.67, contained in the EPI Suite v3.12 program of the U.S. Environmental Protection Agency, the calculated decadic logarithms of Powfor the 3 main components of the test substance were:
acetoneO,O'-[methoxy(vinyl)silanediyl]oxime: 5.7
acetoneO,O',O''-(vinylsilanetriyl)oxime: 8.7
acetoneO-[dimethoxy(vinyl)silyl]oxime: 2.7 .
Referenceopen allclose all
An experimental determination of the
partition coefficient could not be performed, because:
1) the test substance rapidly degrades with a half-life time of <1 hour
at 25 °C.
2) the test substance is a mixture of several compounds for which the
shake-flask method is not applicable.
3) the test substance reacts with water (eluent), and in this case the HPLC method is not applicable.
The calculated decadic logarithms of Powfor the 3 main components of the test substance were: acetoneO,O'-[methoxy(vinyl)silanediyl]oxime: 5.7; acetoneO,O',O''-(vinylsilanetriyl)oxime: 8.7 and acetoneO-[dimethoxy(vinyl)silyl]oxime: 2,7
Description of key information
The partition coefficient n-octanol/water assay for the test material according to the guideline methods, shake flask method or high performance liquid chromatography (HPLC), could not be performed. Instead, software KOWWIN v. 1.67 (EPI Suite v3.12 program) was used to calculate the logPow for their 3 main components. The logPow of the test substance was selected to be 8.7 based on the worst case scenario.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 8.7
Additional information
The partition coefficient n-octanol/water assay for the test material according to the guideline methods, shake flask method or high performance liquid chromatography (HPLC), could not be performed because: 1) the test substance rapidly degrades with a half-life time of <1 hour at 25 °C. 2) the test substance is a mixture of several compounds for which the shake-flask method is not applicable. 3) the test substance reacts with water (eluent), and in this case the HPLC method is not applicable.
Using the software KOWWIN v. 1.67, contained in the EPI Suite v3.12 program of the U.S. EPA, the calculated decadic logarithms of Pow for the 3 main components of the test substance were:
acetoneO,O'-[methoxy(vinyl)silanediyl]oxime: 5.7
acetoneO,O',O''-(vinylsilanetriyl)oxime: 8.7
acetoneO-[dimethoxy(vinyl)silyl]oxime: 2.7 .
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.
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