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EC number: 238-936-9 | CAS number: 14866-33-2
- 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)
- Endpoint:
- biodegradation in water: screening tests
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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 limited documentation / justification
- Justification for type of information:
- The supporting QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- Principles of method if other than guideline:
- The prediction was done using OECD QSAR tool box v.3.4
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name (IUPAC): N,N,N-trioctyloctan-1-aminium bromide
- Molecular formula: C32H68BrN
- Molecular weight: 546.8002 g/mol
- Smiles notation: CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-]
- InChl: 1S/C32H68N.BrH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1
- Substance type: Organic
- Physical state: off-white coloured powder - Oxygen conditions:
- aerobic
- Inoculum or test system:
- other: Microorganisms
- Duration of test (contact time):
- 28 d
- Parameter followed for biodegradation estimation:
- other: BOD
- Key result
- Parameter:
- other:
- Remarks:
- BOD
- Value:
- 0.06
- Sampling time:
- 28 d
- Remarks on result:
- other: other details not available
- Details on results:
- The test chemical Tetraoctylammonium Bromide undergoes 0.060 % percent biodegrdadation by taking BOD as parameter in 28 days.
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- under test conditions no biodegradation observed
- Conclusions:
- The test chemical Tetraoctylammonium Bromide undergoes 0.060 % percent biodegrdadation by taking BOD as parameter and by taking microorganisms as inoculum in 28 days. So it is concluded that the test chemical Tetraoctylammonium Bromide is not readily biodegradable.
- Executive summary:
Biodegrdability of test chemical Tetraoctylammonium Bromide ( CAS no. 14866 -33 -2) is predicted using OECD QSAR tool box v.3.4 using log Kow as primary descriptor. The test chemical Tetraoctylammonium Bromide undergoes 0.060 % percent biodegrdadation by taking BOD as parameter and by taking microorganisms as inoculum in 28 days. So it is concluded that the test chemical Tetraoctylammonium Bromide is not readily biodegradable.
Reference
The
prediction was based on dataset comprised from the following
descriptors: BOD
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((((("a"
or "b" or ("c"
or "d" or "e" or "f" )
)
and "g" )
and "h" )
and "i" )
and "j" )
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and ("o"
and (
not "p")
)
)
and ("q"
and "r" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Cationic (quaternary ammonium)
surfactants by US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Surfactants-Cationic by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Ammonium salt by Organic
Functional groups
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Ammonium salt AND Overlapping
groups by Organic Functional groups (nested)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] OR
Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Nitrogen, single
bonds [N{v+5}] by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Anion AND Cation AND Quaternary
ammonium salt by Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Not calculated by Biodeg BioHC
half-life (Biowin) ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 5) ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 6) ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 7) ONLY
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Not known precedent reproductive
and developmental toxic potential by DART scheme v.1.0
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Known precedent reproductive and
developmental toxic potential OR Not covered by current version of the
decision tree OR Organophosphorus compounds (1b) OR Toluene and small
alkyl toluene derivatives (8a) by DART scheme v.1.0
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Halogens AND Non-Metals by
Groups of elements
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Alkali Earth OR Transition
Metals by Groups of elements
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Thiocarbamates/Sulfides
(Hepatotoxicity) No rank by Repeated dose (HESS)
Domain
logical expression index: "q"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is >= 303
Da
Domain
logical expression index: "r"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is <= 747
Da
Description of key information
Biodegrdability of test chemical Tetraoctylammonium Bromide ( CAS no. 14866 -33 -2) is predicted using OECD QSAR tool box v.3.4 using log Kow as primary descriptor. The test chemical Tetraoctylammonium Bromide undergoes 0.060 % percent biodegrdadation by taking BOD as parameter and by taking microorganisms as inoculum in 28 days. So it is concluded that the test chemical Tetraoctylammonium Bromide is not readily biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
Additional information
Results of predicted data for target compound Tetraoctylammonium Bromide (CAS no. 14866-33-2) and supporting weight of evidence studies for its read across chemicals were reviewed for the biodegradation endpoint which is summarized below.
Biodegrdability of test chemical Tetraoctylammonium Bromide (CAS no. 14866-33-2) is predicted using OECD QSAR tool box v.3.4 using log Kow as primary descriptor. The test chemical tetraoctylammonium Bromide undergoes 0.060 % percent biodegrdadation by taking BOD as parameter and by taking microorganisms as inoculum in 28 days. So it is concluded that the test chemical Tetraoctylammonium Bromide is not readily biodegradable.
Another prediction done by using Estimation Programs Interface Suite (EPI suite, 2017) to estimate the biodegradation potential of the test compound Tetraoctylammonium Bromide (CAS no.14866-33-2) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical Tetraoctylammonium Bromide is expected to be not readily biodegradable.
In a supporting weight of evidence study done from authoritative database (J Check, 2017) the Biodegradation experiment was carried out of read across chemical N,N-dioctyl-1-octanamine (CAS no. 1116-76-3) by taking activated sludge as inoculums at 100 mg/L concentration for 14 days. Biodegradation was analyzed by using two parameters that are BOD and test material analysis by GC. The initial concentration of read across chemical was 30 mg/L. After 2 weeks of incubation percent biodegradation of read across chemical N,N-dioctyl-1-octanamine was observed 0.0 % by BOD parameter 12 % by test material analysis by GC parameter in 14 days. Therefore it is concluded that read across chemical N,N-dioctyl-1-octanamine is not readily biodegradable.
Another supporting weight of evidence study done from same source as mentioned above (J Check, 2017) for read across chemical Didecyl dimethyl ammonium chloride (CAS no. 7173-51-5). Biodegradation study was conducted for 28 days for evaluating the percent biodegradability of read across substance Didecyl dimethyl ammonium chloride. The study was performed according to OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I)).Concentration of inoculum i.e., sludge used was 30 mg/l and initial read across substance conc. used in the study was 100 mg/l. The percentage degradation of read across substance was determined to be 0% degradation byO2 consumption (BOD) and Test material analysis by LC-MS in 28 days. Thus, based on percentage degradation, Didecyl dimethyl ammonium chloride was considered to be not readily biodegradable in nature.
On the basis of above results for target chemicalTetraoctylammonium Bromide (CAS no.14866-33-2)(from OECD QSAR tool box and EPI suite, 2017) and for its read across substance (from authoritative database), it is concluded that the test substance Tetraoctylammonium Bromide is expected to be not readily biodegradable in nature.
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