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EC number: 204-661-8 | CAS number: 123-91-1
- 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
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
Description of key information
The substance is not readily biodegradable, according to OECD criteria.
Key value for chemical safety assessment
- Biodegradation in water:
- not biodegradable
- Type of water:
- freshwater
Additional information
Parent compound:
Experimental data for assessment of the biodegradability potential of the 1,4-dioxane (CAS 123-91-1) are available. An enhanced ready biodegradability test according to OECD 301B, conducted with non-adapted, domestic activated sludge as inoculum is available as a key study for the substance (BASF SE, 2010). In this GLP study the substance was determined to be not readily biodegradable (2% CO2 evolution, BASF SE, rep. no.: 27G0155/06G011, 2010).
Additionally, a supporting study conducted according to OECD 301F (Manometric Respirometry Test) is also available for 1,4-dioxane. This non-GLP test indicated less than 10 % biodegradation for the substance with non-adapted domestic sludge (BASF, 1996).
Moreover, in a Zahn-Wellens test with industrial activated sludge the substance was determined to be not inherently biodegradable (40% DOC removal after 10 days, BASF AG, 1979).
Furthermore, a biological impact on the degradation of 1,4-dioxane in riverwater was studied in a publication (Kim et al.,2007). River water samples were taken from four different points along the Nakdong river in Korea. The degradation of the test substance was ca. 5% after 25 gays (based on the test material analysis).
In addition, the ready biodegradability was assessed using the QSAR models Cataogic OECD 301C v11.15 The substance was within the applicability domain of the model. The substance was predicted to be not readily biodegradable.
- CATALOGIC Kinetic OECD 301C v.11.15: 1% in 28 d, not readily biodegradable
Therefore, based on the available experimental and estimated data, the substance is evaluated to be not readily biodegradable according to OECD criteria.
Metabolites:
CATALOGIC 301C v11.15 (OASIS Catalogic v5.13.1) predicted for the parent compound 8 metabolites, identifying no metabolites as relevant degradation products in terms of PBT/vPvB assessment, with an estimated quantity of ≥ 0.1% (for details see ‘Attached background material’ of the respective Endpoint Study Record).
Moreover, all predicted metabolites were calculated to be readily biodegradable (≥ 60% after 28 days, based on BOD). In conclusion, there is no predicted metabolites present in a concentration of ≥ 0.1% (equivalent to >=0.001 mol/mol parent), moreover all predicted metabolites are estimated to be readily biodegradable.
Table 1. The predicted metabolites from the CATALOGIC 301C v11.15 estimation model.
The predicted metabolites for the subtance from the CATALOGIC 301C v11.15 estimation
model
# |
Smiles |
Quantity [mol/mol parent] |
log Kow |
BOD (%) |
Parent |
C1COCCO1 (CAS 123-91-1) |
0.991 |
-0.32 |
1 |
2 |
OC1COCCO1 |
8.987E-008 |
-1.86 |
99 |
3 |
OCCOCC=O |
8.986E-008 |
-1.91 |
99 |
4 |
OCCOCC(O)=O |
8.986E-008 |
-1.65 |
99 |
5 |
OC(=O)COCC=O |
8.986E-008 |
-1.67 |
99 |
6 |
OC(=O)COCC(O)=O |
8.98E-005 |
-2.01 |
99 |
7 |
OC(=O)C=O |
1.779E-007 |
-1.4 |
100 |
11 |
OCC(O)=O |
8.896E-008 |
-1.1 |
100 |
8 |
OC(=O)C(O)=O |
1.779E-007 |
-1.7 |
100 |
(metabolite no: according to (Q)SAR model CATALOGIC 301C v11.15 – July 2018 (OASIS CATALOGIC v5.13.1.156))
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