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EC number: 274-695-6 | CAS number: 70609-66-4
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- 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 database
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- WSKOW v1.42 was used to estimate the water solubility of Sodium 2-[(1-oxododecyl)amino]ethanesulphonate
- GLP compliance:
- not specified
- Type of method:
- other: estimated data
- 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
- Water solubility:
- 29 860 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: estimaed data
- Conclusions:
- The estimated water solubility of Sodium 2-[(1-oxododecyl)amino]ethanesulphonate at 25 deg C was 29860 mg/l.
- Executive summary:
WSKOW v1.42 was used to estimate the water solubility of the Sodium 2-[(1-oxododecyl)amino]ethanesulphonate.
The estimated water solubility of the Sodium 2-[(1-oxododecyl)amino]ethanesulphonate at 25 deg C was 29860 mg/l.
Based on the estimated value, the Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was very soluble in water.
Reference
Description of key information
The estimated water solubility of Sodium 2-[(1-oxododecyl)amino]ethanesulphonate at 25 deg C was 29860 mg/l.
Key value for chemical safety assessment
- Water solubility:
- 29 860 mg/L
- at the temperature of:
- 25 °C
Additional information
WSKOW v1.42 was used to estimate the water solubility of the Sodium 2-[(1-oxododecyl)amino]ethanesulphonate.
The estimated water solubility of the Sodium 2-[(1-oxododecyl)amino]ethanesulphonate at 25 deg C was 29860 mg/l.
Based on the estimated value, the Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was very soluble in water.
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