Tetraoctylammonium bromide

Biodegradation in water: screening tests

Link to relevant study record(s)

Reference

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.

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

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.

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.