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EC number: 219-411-3 | CAS number: 2432-87-3
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:
- according to guideline
- Guideline:
- other: refer principle below
- Principles of method if other than guideline:
- To estimate octanol water partition coefficient of the 1,10-dioctyl decanedioate (CAS no. 2432-87-3).
- GLP compliance:
- not specified
- Type of method:
- other: estimation
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name of the test material: Dioctyl decanedioate / Dioctyl sebacate
- IUPAC name: 1,10-dioctyl decanedioate
- Molecular formula: C26H50O4
- Molecular weight: 426.677g/mol
- Smiles: C(=O)(OCCCCCCCC)CCCCCCCCC(=O)OCCCCCCCC
- Inchi : 1S/C26H50O4/c1-3-5-7-9-15-19-23-29-25(27)21-17-13-11-12-14-18-22-26(28)30-24-20-16-10-8-6-4-2/h3-24H2,1-2H3
- Substance type: Organic
- Physical state : Liquid (colorless to light yellow) - Key result
- Type:
- log Pow
- Partition coefficient:
- 10.23
- Temp.:
- 25 °C
- Remarks on result:
- other: other details not available
- Conclusions:
- The Octanol water partition coefficent i.e., log POW of the test chemical 1,10-dioctyl decanedioate (CAS no. 2432-87-3) estimated was 10.23
- Executive summary:
Octanol water partition coefficient of the 1,10-dioctyl decanedioate (CAS no. 2432-87-3) was estimated. The estimated log POW of the 1,10-dioctyl decanedioate was 10.23. On the basis of estimated value, the 1,10-dioctyl decanedioate can be considered as hydrophobic in nature
Reference
Description of key information
Octanol water partition coefficient of the 1,10-dioctyl decanedioate (CAS no. 2432-87-3) was estimated. The estimated log POW of the 1,10-dioctyl decanedioate was 10.23. On the basis of estimated value, the 1,10-dioctyl decanedioate can be considered as hydrophobic in nature
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 10.23
- at the temperature of:
- 25 °C
Additional information
Octanol water partition coefficient of the 1,10-dioctyl decanedioate (CAS no. 2432-87-3) was estimated. The estimated log POW of the 1,10-dioctyl decanedioate was 10.23. On the basis of estimated value, the 1,10-dioctyl decanedioate can be considered as hydrophobic in nature
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