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EC number: 246-680-4 | CAS number: 25155-30-0
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- not applicable
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- QSAR prediction: US EPA accepted QSAR method for organic chemicals properties assessment.
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- QSAR method (WSKOW v1.42)
- GLP compliance:
- no
- Remarks:
- QSAR method
- Type of method:
- other: QSAR
- Water solubility:
- 134.1 mg/L
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: WSKOW v1.42
- Conclusions:
- Interpretation of results : moderately soluble (100-1000 mg/L)
Substance is predicted by QSAR method (EPI Suite v 4.1/WSKOW v1.42 ) to be moderately soluble ( 134.1 mg/l) in water. - Executive summary:
Substance is predicted by QSAR method (EPI Suite v 4.1/WSKOW v1.42 ) to be moderately soluble ( 134.1 mg/l) ( 100 -1000 mg/l) in water.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- GLP compliance:
- not specified
- Water solubility:
- 800 mg/L
- Temp.:
- 25 °C
- pH:
- 9
- Details on results:
- experimental for sodium dodecylbenzenesulfonate
- Conclusions:
- Interpretation of results: moderately soluble (100-1000 mg/L)
The substance is moderately soluble ( 800 mg/l) in water. - Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Solubility of commercial NaLAS was determined by slowly lowering the temperature in a Fisher Isotemp incubator over several days and recording the temperature at which the solutions first turned cloudy (cloud point). The solubility of the C12 narrow-distribution phenyl isomers was determined by heating a saturated solution to 70°C for 0.5-3 h and then cooling to 5°C. After equilibrating to room temperature overnight, the cloudy mixture was centrifuged, and the clear supernatant drawn off, weighed, and dehydrated to determine percentage solids. The percentage dissolved was then calculated from the weight loss to the supernatant
- GLP compliance:
- not specified
- Type of method:
- other: cloud point
- Water solubility:
- 100 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: Temperature varied between 5-70°C.
- Details on results:
- pH not given. Temperature varied between 5-70°C.
Surface activity increased with increasing average alkyl chain length. Some decrease in surface tension was observed with increasing phenyl isomer number, but the range of phenyl isomer distribution of commercial products is not large enough to significantly alter the surface tension vs. log concentration plot. Increasing the average alkyl chain length of LAS decreases solubility (i.e., increases cloud point). The following table shows the critical micelle concentration (CMC) for various chain lengths LAS tested. - Conclusions:
- Interpretation of results: moderately soluble (100-1000 mg/L)
The substance is moderately soluble ( 100 mg/l) in water. Water solubility of 100 mg/l for sodium dodecylbenzenesulfonate was determinated. - Executive summary:
Solubility of test substance was determined by measuring the cloud point and clear point. Solubility of individual components of the test substance were also measured. The test substance is moderately soluble in water.
Referenceopen allclose all
Overview of QSARs estimations onWater Solubility of Sodium dodecylbenzenesulfonate/ Benzenesulfonic acid, dodecyl-, sodium salt/ Dodecylbenzenesulfonic acid, sodium salt
Method
|
Results |
Remarks |
Reference |
QSAR estimate |
Water Sol: 134.1 mg/L
SMILES : O([Na])S(=O)(=O)c1ccc(cc1)CCCCCCCCCCCC CHEM : Benzenesulfonic acid, dodecyl-, sodium salt MOL FOR: C18 H29 O3 S1 Na1 MOL WT : 348.48 WSKOW v1.42 Results Log Kow (estimated) : 3.00 Log Kow (experimental): 1.96 Cas No: 25155-30-0 Name : DODECYLBENZENESULFONIC ACID, NA SALT Refer : HAND,VC & WILLIAMS,GK (1987) Log Kow used by Water solubility estimates: 1.96
Equation Used to Make Water Sol estimate: Log S (mol/L) = 0.796 - 0.854 log Kow - 0.00728 MW + Correction (used when Melting Point NOT available)
Correction(s): Value -------------------- ----- No Applicable Correction Factors
Log Water Solubility (in moles/L) : -3.415 Water Solubility at 25 deg C (mg/L): 134.1
|
Valid with restrictions (2); QSAR method; Estimated values |
|
Chain length, isomer composition, dialkyltetralin sulfonate content |
CMC (g/L) |
C11 high 2-phenyl, low dialkyltetralinsulfonate |
0.120 |
C11 high 2-phenyl, high dialkyltetralinsulfonate |
0.120 |
C11 low 2-phenyl, low dialkyltetralinsulfonate |
0.120 |
C12 low 2-phenyl, low dialkyltetralinsulfonate |
0.105 |
C13 low 2-phenyl, low dialkyltetralinsulfonate |
0.038 |
Description of key information
The substance is moderately soluble ( 800 mg/l) in water. Water solubility of 800 mg/l for sodium dodecylbenzenesulfonate
Substance is predicted by QSAR method (EPI Suite v 4.1/WSKOW v1.42 ) to be moderately soluble ( 134.1 mg/l) ( 100 -1000 mg/l) in water.
Water solubility of 100 mg/l for sodium dodecylbenzenesulfonate was determinated.
Key value for chemical safety assessment
- Water solubility:
- 800 mg/L
- at the temperature of:
- 25 °C
Additional information
The substance is moderately soluble ( 800 mg/l) in water. Water solubility of 800 mg/l for sodium dodecylbenzenesulfonate
Substance is predicted by QSAR method (EPI Suite v 4.1/WSKOW v1.42 ) to be moderately soluble ( 134.1 mg/l) ( 100 -1000 mg/l) in water.
Water solubility of 100 mg/l for sodium dodecylbenzenesulfonate was determinated.
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