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EC number: 274-695-6 | CAS number: 70609-66-4
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 modellling database
- Qualifier:
- according to guideline
- Guideline:
- other: refer principle below
- Principles of method if other than guideline:
- KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance Sodium 2-[(1-oxododecyl)amino]ethanesulphonate
- 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: sodium 2-[(1-oxododecyl)amino]ethanesulphonate / Sodium lauroyl taurate
- IUPAC name: sodium 2-[(1-oxododecyl)amino]ethanesulphonate
- Molecular formula: C14H29NO4S.Na
- Molecular weight: 329.4342 g/mol
- Smiles: CCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-].[Na+]
- Inchi : 1S/C14H29NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-14(16)15-12-13-20(17,18)19;/h2-13H2,1H3,(H,15,16)(H,17,18,19);/q;+1/p-1
- Substance type: Organic
- Physical state : Solid white powder - Key result
- Type:
- log Pow
- Partition coefficient:
- -0.655
- Temp.:
- 25 °C
- Remarks on result:
- other: other details not available
- Conclusions:
- The logPOW (Octanol water partition coefficent) of the test chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate estimated to be -0.6553.
- Executive summary:
Octanol water partition coefficient of test chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate (CAS no. 70609-66-4) was estimated. The estimated logPOW of the Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was -0.6553 . On the basis of estimated value, the Sodium 2-[(1-oxododecyl)amino]ethanesulphonate can be considered as hydrophillic in nature.
Reference
Description of key information
Octanol water partition coefficient of test chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate (CAS no. 70609-66-4) was estimated. The estimated logPOW of the Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was -0.6553 . On the basis of estimated value, the Sodium 2-[(1-oxododecyl)amino]ethanesulphonate can be considered as hydrophillic in nature.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.655
- at the temperature of:
- 25 °C
Additional information
Octanol water partition coefficient of test chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate (CAS no. 70609-66-4) was estimated. The estimated logPOW of the Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was -0.6553 . On the basis of estimated value, the Sodium 2-[(1-oxododecyl)amino]ethanesulphonate can be considered as hydrophillic in nature.
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