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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
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.
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