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EC number: 600-606-0 | CAS number: 104825-66-3
- 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:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 15-02-2018
- 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:
- No QPRF report was provided as model output
- Justification for type of information:
- 1. SOFTWARE
KOWWIN (EPI Suite)
2. MODEL (incl. version number)
KOWWIN v1.68
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
c1(OCCNC(=O)CC)ccc(Oc2ccccc2)cc1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the attached document taken directly from the help file of MPBPWIN v1.43
5. APPLICABILITY DOMAIN
Please refer to the attached document taken directly from the help file of MPBPWIN v1.43
6. ADEQUACY OF THE RESULT
No QPRF report was provided by the tool but the query substance falls within the applicability domain of the model. - Principles of method if other than guideline:
- As discussed in the User's Guide of KOWWIN, this tool predicts the Log P using a "fragment constant" methodology. As per this approach, the structure is divided into graments (atom or larger functional groups) and coefficent values of each fragment or group are summed together. Please refer to Meylan and Howard (1995) journal article for further information about KOWWIN’s methodology.
- Type of method:
- calculation method (fragments)
- Remarks:
- QSAR model
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 3.58
- Remarks on result:
- other: QSAR result
- Executive summary:
The log Kow of propanamide, N-[2-(4-phenoxyphenoxy)ethyl]- was predicted as 3.58 using KOWWIN v1.68.
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Remarks:
- The model is incorporated into the OECD QSAR Toolbox v3.4.0.17
- Adequacy of study:
- supporting study
- Study period:
- 15-02-2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification
- Remarks:
- No QPRF report was provided as model output.
- Justification for type of information:
- 1. SOFTWARE
OECD QSAR Toolbox
2. MODEL (incl. version number)
Multicase Log P model integrated into OECD QSAR Toolbox v.3.4.0.17
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
c1(OCCNC(=O)CC)ccc(Oc2ccccc2)cc1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the attached document taken directly from the help file of MPBPWIN v1.43
5. APPLICABILITY DOMAIN
Please refer to the attached document taken directly from the help file of MPBPWIN v1.43
6. ADEQUACY OF THE RESULT
No QPRF report was provided by the tool but the query substance falls within the applicability domain of the model. - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Please refer to the attached prediction report for further information about the model.
- GLP compliance:
- no
- Type of method:
- other: Log P model of Multicase incorporated into the OECD QSAR Toolbox v3.4.0.17
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 3.97
- Remarks on result:
- other: QSAR result
- Executive summary:
The log Kow of propanamide, N-[2-(4-phenoxyphenoxy)ethyl]- was predicted as 3.97 using Multicase integrated into OECD QSAR Toolbox v3.4.0.17.
Referenceopen allclose all
Description of key information
The geometric mean of the Log Kow predictions from two QSAR models was calculated.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.77
Additional information
The geometric mean of the Log Kow predictions from the following two QSAR models was considered:
a) EPISuite KOWWIN v.1.68 (Log Kow predicted = 3.58)
b) OECD QSAR Toolbox v3.4.0.17 (Log Kow predicted using Multicase = 3.97)
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.

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