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Diss Factsheets
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EC number: 248-289-4 | CAS number: 27176-87-0
- 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)
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- 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. Recognised method of fugacity calculations.
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- EPI Suite v 4.1/Level III Fugacity Model
- Author:
- US EPA
- Year:
- 2 014
- Bibliographic source:
- http://epa.gov/oppt/exposure/pubs/episuite.htm
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPI Suite v 4.1/Level III Fugacity Model
- Release year:
- 2 011
- Media:
- other: all
Test material
- Reference substance name:
- Dodecylbenzenesulphonic acid
- EC Number:
- 248-289-4
- EC Name:
- Dodecylbenzenesulphonic acid
- Cas Number:
- 27176-87-0
- Molecular formula:
- C18H30O3S
- IUPAC Name:
- Dodecylbenzenesulfonic acid
- Test material form:
- liquid
- Details on test material:
- SMILES : O=S(=O)(c1ccc(cc1)CCCCCCCCCCCC)OCHEM : Benzenesulfonic acid, dodecyl-MOL FOR: C18 H30 O3 S1 MOL WT : 326.50
Constituent 1
Study design
- Test substance input data:
- - Parameters as per physicochemical summary data.
- Reaction half-life estimates for:
- Air: 15.69 hr (from AOPWIN)
- Water: 360 hr (Based on Biowin)
- Soil: 720 hr
- Sediment: 3240 hr
- Environmental properties:
- - Environmental compartment sizes and character as per the TGD
Results and discussion
Percent distribution in media
- Air (%):
- 0.641
- Water (%):
- 18.6
- Soil (%):
- 74
- Sediment (%):
- 6.79
- Susp. sediment (%):
- 0
- Biota (%):
- 0
- Aerosol (%):
- 0
- Other distribution results:
- The figures above represent the first emission scenario shown below
Any other information on results incl. tables
Level III Fugacity Model (Full-Output):
=======================================
Chem Name : Benzenesulfonic acid, dodecyl-
Molecular Wt: 326.5
Henry's LC : 6.27e-008 atm-m3/mole (Henrywin program)
Vapor Press : 7.93e-011 mm Hg (Mpbpwin program)
Liquid VP : 2.57e-009 mm Hg (super-cooled)
Melting Pt : 178 deg C (Mpbpwin program)
Log Kow : 4.78 (Kowwin program)
Soil Koc : 1.24e+004 (KOCWIN MCI method)
TABLE 1
|
Mass Amount (percent) |
Half-Life (hr) |
Emissions
(kg/hr) |
Air |
0.641 |
15.7 |
1000
|
Water |
18.6 |
360 |
1000
|
Soil |
74 |
720 |
1000
|
Sediment |
6.79 |
3.24e+003 |
0 |
TABLE 2A
|
Fugacity (atm) |
Reaction (kg/hr) |
Advection (kg/hr) |
Reaction (percent) |
Advection (percent) |
Air |
2.53e-014 |
525 |
119 |
17.5 |
3.96 |
Water |
3.24e-013 |
663 |
344 |
22.1 |
11.5 |
Soil |
4.92e-014 |
1.32e+003 |
0 |
44 |
0 |
Sediment |
2.03e-013 |
26.9 |
2.52 |
0.897 |
0.0839 |
Persistence Time: 618 hr
Reaction Time: 731 hr
Advection Time: 3.98e+003 hr
Percent Reacted: 84.5
Percent Advected: 15.5
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 15.69
Water: 360
Soil: 720
Sediment: 3240
Biowin estimate: 2.843 (weeks)
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Applicant's summary and conclusion
- Conclusions:
- Dodecylbenzenesulphonic acid has no affinity to be in air and sediment. The direct emissions to soil and surface water are significant, therefore Dodecylbenzenesulphonic acid will be almost exclusively be found in soil and surface water.
- Executive summary:
Mackay fugacity modelling (level 3) indicates that, taking into account degradation and using inflow parameters which are consistent with the known production tonnage of this substance in, fugacity coefficient indicates that environmental concentrations in water are predicted to be 3.24e-013 (atm), in air (atm) 2.53e-014 and soil 4.92e-014 (atm) and sediment to be 2.03e-013 (atm).
These are negligible low levels. This can be considered a worse case prediction as it assumes all product is emitted with no emission control systems used.
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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