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EC number: 248-196-9 | CAS number: 27059-08-1
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:
- accepted calculation method
- Justification for type of information:
- data is from modelling databases
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- The octanol water partition coefficient of chemical 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate was estimated.
- GLP compliance:
- not specified
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name ( regulatory process): 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate
- Name of test material (as cited in study report): Acetamide, N- 3- bis 2-(acetyloxy)ethyl amino phenyl
- Molecular formula : C16H22N2O5
- Molecular weight : 322.359 g/mole
- Smiles notation : O=C(OCCN(c1cccc(NC(=O)C)c1)CCOC(=O)C)C
- InChl: 1S/C16H22N2O5/c1-12(19)17-15-5-4-6-16(11-15)18(7-9-22-13(2)20)8-10-23-14(3)21/h4-6,11H,7-10H2,1-3H3,(H,17,19)
- Substance type: Organic
-Physical state: white to off white coloured powder - Key result
- Type:
- log Pow
- Partition coefficient:
- 1.34
- Temp.:
- 25 °C
- Remarks on result:
- other: details are not available
- Conclusions:
- The octanol water partition coefficient of test chemical 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate predicted is 1.34
- Executive summary:
The octanol water partition coefficient of test chemical 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate ( CAS no. 27059 -08 -1) 1.34 by this value this chemical is considered hydrophilic in nature.
Reference
Description of key information
The octanol water partition coefficient of test chemical 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate (CAS no. 27059 -08 -1) 1.34 by this value this chemical is considered hydrophilic in nature.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.34
- at the temperature of:
- 25 °C
Additional information
The octanol water partition coefficient of test chemical 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate( CAS no. 27059 -08 -1) 1.34 by this value this chemical is considered hydrophilic in nature.
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