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EC number: 216-938-0 | CAS number: 1703-58-8
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:
- Octanol water partition coefficient of the butane-1,2,3,4-tetracarboxylic acid (CAS no. 1703-58-8) 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( IUPAC): butane-1,2,3,4-tetracarboxylic acid- Name of test material (as cited in study report): 1,2,3,4Butanetetracarboxylic acid, meso-Molecular formula: C8H10O8-Molecular weight: 234.159 g/mol-Smilies notation: OC(=O)C[C@H]([C@H](CC(=O)O)C(=O)O)C(=O)O-InChI: 1S/C8H10O8/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)/t3-,4+- Substance type: Organic- Physical state: white powder
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.41
- Remarks on result:
- other: details not available
- Conclusions:
- The octanol water partition coefficient of chemical butane-1, 2, 3, 4-tetracarboxylic acid is -1.41 .
- Executive summary:
The octanol water partition coefficient of test chemical butane-1, 2, 3, 4-tetracarboxylic acid ( CAS no. 1703 -58 -8) is -1.41. Considering this value it is concluded that this test chemical is hydrophilic.
Reference
Description of key information
The octanol water partition coefficient of test chemical butane-1, 2, 3, 4-tetracarboxylic acid ( CAS no. 1703 -58 -8) is -1.41. Considering this value it is concluded that this test chemical is hydrophilic.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.41
- at the temperature of:
- 25 °C
Additional information
The octanol water partition coefficient of test chemical butane-1, 2, 3, 4-tetracarboxylic acid ( CAS no. 1703 -58 -8) is -1.41. Considering this value it is concluded that this test chemical is hydrophilic.
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