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Diss Factsheets
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EC number: - | CAS number: 1474044-66-0
- 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
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_environmental-fate-and-pathways.png)
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Peer reviewed data in the ICCA HPV program
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Sorption of surfactants on sediment from an artiticial pond. Organ carbon content of the sediment = 22%
- GLP compliance:
- not specified
- Type of method:
- batch equilibrium method
- Media:
- sediment
- Test temperature:
- 25 °C
- Analytical monitoring:
- not specified
- Type:
- Koc
- Value:
- 75 - 105
- Temp.:
- 25 °C
- % Org. carbon:
- 22
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Substance within applicability domain - fragment corrections available for relevant functional groups.
- Principles of method if other than guideline:
- The Koc was estimated for the 2 main constituents of the substance using KOCWIN v2.00 (Molecular Connectivity Index method).
- Type of method:
- other: Estimation using KOCWIN v2.00
- Type:
- Koc
- Value:
- 10
- Remarks on result:
- other: C6 alkane sulfonate
- Type:
- Koc
- Value:
- 31.52
- Remarks on result:
- other: C8 alkane sulfonate
Referenceopen allclose all
OCWIN Program (v2.00) Results:
==============================
SMILES : S(=O)(=O)(O([Na]))CCCCCC
CHEM : 1-Hexanesulfonic acid, sodium salt
MOL FOR: C6 H13 O3 S1 Na1
Koc may be sensitive to pH!
--------------------------- KOCWIN v2.00 Results ---------------------------
NOTE: METAL (Na, Li or K) HAS BEEN REMOVED TO ALLOW ESTIMATION via MCI!
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 4.561
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 2.9773
Fragment Correction(s):
1 Sulfonic acid (-S(=O)-OH) ............. : -2.0000
Corrected Log Koc .................................. : 0.9773
Over Correction Adjustment to Lower Limit Log Koc ... : 1.0000
Estimated Koc: 10 L/kg <===========
KOCWIN Program (v2.00) Results:
==============================
SMILES : CCCCCCCCS(O([Na]))(=O)=O
CHEM : 1-Octanesulfonic acid, sodium salt
MOL FOR: C8 H17 O3 S1 Na1
Koc may be sensitive to pH!
--------------------------- KOCWIN v2.00 Results ---------------------------
NOTE: METAL (Na, Li or K) HAS BEEN REMOVED TO ALLOW ESTIMATION via MCI!
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 5.561
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 3.4986
Fragment Correction(s):
1 Sulfonic acid (-S(=O)-OH) ............. : -2.0000
Corrected Log Koc .................................. : 1.4986
Estimated Koc: 31.52 L/kg <===========
Description of key information
Estimated values of 10 and 31.52 have been calculated for the C6- and C8- alkane sulfonates, respectively using KOCWIN v2.00.
Key value for chemical safety assessment
- Koc at 20 °C:
- 31.52
Additional information
Estimated values of 10 and 31.52 have been calculated for the C6- and C8- alkane sulfonates, respectively using KOCWIN v2.00. These values are supported by the experimental value of 75 L/kg derived for sodium octyl sulfate. It is reasonable to assume that alkyl sulfates and alkane sulfonates share a common sorption mechanism - mainly hydrophobic interactions due to the alkyl chains with no ionic interactions by the functional groups – especially considering the similarities in their structures.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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