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EC number: 242-355-6 | CAS number: 18472-87-2
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Justification for type of information:
- Data is from secondary source
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- The partition coefficient (log Pow) of 3,4,5,6-tetrachloro-2-(1,4,5,8-tetrabromo-6-hydroxy-3-oxoxanthen-9-yl)benzoic acid (CAS No. 18472-87-2) was determined.
- GLP compliance:
- no
- Type of method:
- other: No data available
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Test item Name: 3,4,5,6-tetrachloro-2-(1,4,5,8-tetrabromo-6-hydroxy-3-oxoxanthen-9-yl)benzoic acid (CAS Number: 18472-87-2)
- Physical State: Solid
- Form and colour: Red powder
- Molecular formula: C20H4Br4Cl4O5.2Na
- Molecular weight: 829.6388 g/mol
- InChI: 1S/C20H4Br4Cl4O5.2Na/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)26;; /h1-2,29-30H;;/q;2*+1/p-2
- Smiles: c1c2c(c(c(c1Br)[O-])Br)Oc3c(cc(c(c3Br)[O-])Br)C24c5c(c(c(c(c5Cl)Cl)Cl)Cl)C(=O)O4.[Na+].[Na+]
- Substance type: Organic - Type:
- log Pow
- Partition coefficient:
- 0.165
- Temp.:
- 25 °C
- pH:
- 7.22
- Remarks on result:
- other: The substance is hydrophilic
- Conclusions:
- The octanol-water partition coefficient (Log Pow) of test substance was determined to be 0.165 at pH 7.22 and temperature at 25 °C.
- Executive summary:
The octanol-water partition coefficient (Log Pow) of test substance was determined to be 0.165 at pH 7.22 and temperature at 25 °C. This value indicates that the substance is hydrophilic.
Reference
Description of key information
The octanol-water partition coefficient (Log Pow) of test substance was determined to be 0.165 at pH 7.22 and temperature at 25 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.165
- at the temperature of:
- 25 °C
Additional information
The octanol-water partition coefficient (Log Pow) of test substance was determined to be 0.165 at pH 7.22 and temperature at 25 °C. This value indicates that the substance is hydrophilic.
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