Registration Dossier

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
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.

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.

Categories Display