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EC number: 271-808-0 | CAS number: 68608-89-9 This substance is identified by SDA Substance Name: C11-C13 branched alkyl benzene sulfonic acid sodium salt and SDA Reporting Number: 25-097-04.
- 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
Biotransformation and kinetics
Administrative data
- Endpoint:
- biotransformation and kinetics
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Well-documented journal article, no data on GLP.
Data source
Reference
- Reference Type:
- publication
- Title:
- Degradation of Alkyl Benzene Sulfonate by Pseudomonas Species
- Author:
- Horvath, R.S., and Koft, W.B.
- Year:
- 1 972
- Bibliographic source:
- Applied Microbiology, 23 (2), 407-414
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The test substance was added to a basal salts medium consisting of 1.0 g NH4Cl, 1.0 g of Na2HPO4, 0.5 g of KCl, and 0.1 g of MgCl2, per 1 liter water. Various concentrations of glucose, inorganic sulfate, and various carbon and energy sources were also added. A 1% inoculum of Pseudomonas sp. designated HK-1 (10^7 bacteria/ml) was added. This species can cleave the sulfonate moiety, and use it as a source of sulfur. The inoculum was monitored for 32 days. Growth measurements were taken with a Bonet, Maury, and Jouan biophotometer. Metabolic intermediates were isolated and identified by their physical properties or the physical properties of theri carboxylic acid, 3,5 -dinitrobenzoate, or 2,-4 -dinitrophenylhydrazone. ABS was measured using the methylene blue procedure in: American Public Health Association, 1960, Standard methods for the examination of water and wastewater, 11th ed. American Public Health Association, New York.
- GLP compliance:
- not specified
- Type of medium:
- aquatic
Test material
- Reference substance name:
- alkyl benzene sulfonate (BABS Na salt)
- IUPAC Name:
- alkyl benzene sulfonate (BABS Na salt)
- Test material form:
- not specified
Constituent 1
Results and discussion
- Transformation products:
- yes
Identity of transformation productsopen allclose all
- No.:
- #1
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- t-butanol
- Identifier:
- common name
- Identity:
- t-butanol
- No.:
- #2
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- isopropanol
- Identifier:
- common name
- Identity:
- isopropanol
- No.:
- #3
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- 1-propanol
- Identifier:
- common name
- Identity:
- 1-propanol
- No.:
- #4
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- 2-propenol
- Identifier:
- common name
- Identity:
- 2-propenol
- No.:
- #5
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- 2-hydroxymethyloxirane
- Identifier:
- common name
- Identity:
- 2-hydroxymethyloxirane
- No.:
- #6
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- propanoic acid
- Identifier:
- common name
- Identity:
- propanoic acid
- No.:
- #7
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- methyl phenyl carbinol
- Identifier:
- common name
- Identity:
- methyl phenyl carbinol
- No.:
- #8
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- phenyl ethylene glycol
- Identifier:
- common name
- Identity:
- phenyl ethylene glycol
- No.:
- #9
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- mandaldehyde
- Identifier:
- common name
- Identity:
- mandaldehyde
- No.:
- #10
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- hydroxy(phenyl)acetic acid
- Inventory number:
- InventoryMultipleMappingImpl [inventoryEntryValue=EC 202-007-6]
- CAS number:
- 90-64-2
- Identity:
- Benzeneacetic acid, .alpha.-hydroxy-
- Identity:
- Benzeneacetic acid, ?-hydroxy-
- Molecular formula:
- C8H8O3
- Molecular weight:
- 152.147
- SMILES notation:
- OC(C(=O)O)c1ccccc1
- InChl:
- InChI=1/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
- No.:
- #11
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- Phenylmethanol
- Inventory number:
- InventoryMultipleMappingImpl [inventoryEntryValue=EC 202-859-9]
- CAS number:
- 100-51-6
- Identity:
- Benzenemethanol
- Molecular formula:
- C7H8O
- Molecular weight:
- 108.138
- SMILES notation:
- OCc1ccccc1
- InChl:
- InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
- No.:
- #12
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- Benzaldehyde
- Inventory number:
- InventoryMultipleMappingImpl [inventoryEntryValue=EC 202-860-4]
- CAS number:
- 100-52-7
- Identity:
- Benzaldehyde
- Identity:
- benzaldehyde
- Molecular formula:
- C7H6O
- Molecular weight:
- 106.122
- SMILES notation:
- O=Cc1ccccc1
- InChl:
- InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
- No.:
- #13
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- benzoic acid
- Inventory number:
- InventoryMultipleMappingImpl [inventoryEntryValue=EC 200-618-2]
- CAS number:
- 65-85-0
- Identity:
- Benzoic acid
- Molecular formula:
- C7H6O2
- Molecular weight:
- 122.121
- SMILES notation:
- OC(=O)c1ccccc1
- InChl:
- InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
- No.:
- #14
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- phenol
- Inventory number:
- InventoryMultipleMappingImpl [inventoryEntryValue=EC 203-632-7]
- CAS number:
- 108-95-2
- Molecular formula:
- C6H6O
- Molecular weight:
- 94.11
- SMILES notation:
- Oc1ccccc1
- InChl:
- InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
- No.:
- #15
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- catechol
- Identifier:
- common name
- Identity:
- catechol
Any other information on results incl. tables
Amount of ABS (mmoles/L) |
Amount dry cell wt. (mg/L) |
2.870 |
378 |
1.430 |
243.6 |
0.715 |
151.2 |
0.287 |
92.4 |
The above growth results shows that the Pseudomonas sp. HK-1 is capable of growing in ABS media. 4 mmoles of adenosine triphosphate per mmole of ABS degraded was obtained by the Pseudomonas. Degradation begins with the oxidation and then hydrolysis of the branched side chain into t-butanol and isopropanol. The ispropanol further degrades to 1 -propanol, to 2 -propenol, to 2 -hydroxymethyloxirane, and finally to propanoic acid. The sulfonate group cleaves, and the branced side chain eventually degrades to the point that methyl phenyl carbinol is formed. The methyl phenyl carbinol degrades by further hydrolysis and oxidation to phenyl ethylene glycol, to mandaldehyde, to mandelic acid, to benzyl alcohol, to benzaldehyde, to benzoic acid, to phenol, and possibly to catechol.
Applicant's summary and conclusion
- Conclusions:
- The ultimate degradation products of ABS are t-butanol, propanoic acid, phenol, and catechol.
- Executive summary:
The degradation of BABS Na salt was monitored for 32 days. The ultimate degradation products are t-butanol, propanoic acid, phenol, and catechol. The biodegradation pathway of BABS Na salt (branched alkyl benzene sulfonate) was similar to that of linear alkyl benzene sulfonate (LAS).
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