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EC number: 274-695-6 | CAS number: 70609-66-4
Density
Administrative data
Link to relevant study record(s)
- Endpoint:
- density, other
- Remarks:
- Density
- 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:
- Predicted data from ACD/Labs
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- ACD/I-Lab accepts smiles of test item and predicted data for density using v12.1.0.50375.
- GLP compliance:
- not specified
- Type of method:
- other: predicted 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
- Type:
- density
- Density:
- 1.182 g/cm³
- Temp.:
- 20 °C
- Remarks on result:
- other: Estimated value is 1.182 ± 0.06 g/cm3
- Conclusions:
- The density of chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was estimated to be 1.182 ± 0.06 g/cm3.
- Executive summary:
Based on prediction done using ACD/I-Lab 2.0, the density of chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was estimated to be 1.182 ± 0.06 g/cm3.
Reference
Description of key information
The density of chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was estimated to be 1.182 ± 0.06 g/cm3.
Key value for chemical safety assessment
- Relative density at 20C:
- 1.182
Additional information
Based on prediction done using ACD/I-Lab 2.0, the density of chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was estimated to be 1.182 ± 0.06 g/cm3.
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