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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Water solubility

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Administrative data

Link to relevant study record(s)

Reference
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.

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.