Registration Dossier
Registration Dossier
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EC number: 202-169-8 | CAS number: 92-59-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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:
- data from handbook or collection of data
- Justification for type of information:
- Data is from SRC PhysProp Database, ChemIDplus, EPI suite & DANISH Q(S)AR database
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- Estimation of octanol water partition coefficient of the test substance N-benzyl-N-ethylaniline.
- GLP compliance:
- not specified
- Type of method:
- other: No data available
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name of test material: N-benzyl-N-ethylaniline
- Molecular formula: C15H17N
- Molecular weight (if other than submission substance): 211.306 g/mol
- Smiles notation: N(c1ccccc1)(Cc1ccccc1)CC
- InChl: 1S/C15H17N/c1-2-16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
- Substance type: Organic
- Physical state: Liquid - Key result
- Type:
- log Pow
- Partition coefficient:
- 4.07
- Remarks on result:
- other: Other details not known
- Details on results:
- The LogPow of the test chemical N-benzyl-N-ethylaniline was estimated to be 4.07.
- Conclusions:
- The partition coefficient (log Pow) value of the substance N-benzyl-N-ethylaniline was estimated to be 4.07.
- Executive summary:
The partition coefficient (log Pow) value of the substance N-benzyl-N-ethylaniline was estimated to be 4.07.
Reference
Description of key information
The partition coefficient (log Pow) value of the substance N-benzyl-N-ethylaniline was estimated to be 4.38.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.38
- at the temperature of:
- 25 °C
Additional information
The partition Coefficient n-octanol/water of test chmeical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared.The reference substances Benzene, Biphenyl, 4-Acetylpyridine, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene were chosen having log Pow range from 0.5 to 4.6.The Log Pow value was determined to be 4.382 ± 0.001 dimensionless at 25°C. This value indicates that the substance is hydrophilic in nature.
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