Registration Dossier
Registration Dossier
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EC number: 271-946-1 | CAS number: 68647-35-8 This substance is identified in the Colour Index by Colour Index Constitution Number, C.I. 42535:4.
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Data is from modelling database
Data source
Reference
- Reference Type:
- other: authoritative database
- Title:
- Partition coefficient by EPI (Estimation Programs Interface) Suite
- Author:
- Sustainability Support Service (Europe) AB – estimated
- Year:
- 2 018
- Bibliographic source:
- Estimation Programs Interface Suite™ United States Environmental Protection Agency, Washington, DC, USA. version 4.11
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates.
- GLP compliance:
- not specified
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates
- EC Number:
- 271-946-1
- EC Name:
- Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates
- Cas Number:
- 68647-35-8
- Molecular formula:
- C60H83N4O18P.Mo.W
- IUPAC Name:
- N-(4-{bis[4-(dimethylamino)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)methanaminium dioxomolybdenumdiol hydroxysilanoylolate
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Name of test material : Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates
- Substance type: Organic
- Physical state: Solid
Constituent 1
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates
- Substance type: Organic
- Physical state: Solid
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.995
- Temp.:
- 25 °C
- Remarks on result:
- other: Other details not known
- Details on results:
- The LogPow of the test chemical Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be 5.0
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient value of the substance Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be 5.0.
- Executive summary:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance Benzenamine, 4 -[(4 -aminophenyl)(4 -imino-2,5 -cyclohexadien-1 -ylidene) methyl]-, N-Me derivatives, molybdatesilicates (CAS no. 68647 -35 -8). The partition coefficient (log Pow) value of the substance Benzenamine, 4 -[(4 -aminophenyl)(4 -imino- 2,5 -cyclohexadien-1 -ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be 5.0. Based on the estimated value, the test substance Benzenamine, 4 -[(4 -aminophenyl)(4 -imino-2,5 -cyclohexadien-1 -ylidene)methyl]-, N-Me derivatives, molybdatesilicates can be considered to be hydrophobic in nature.
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