Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Data is from computational model developed by USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- Prediction done using BCFBAF (v3.01) model
- 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 - Radiolabelling:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: estimation
- Water / sediment media type:
- natural water: freshwater
- Test temperature:
- 25 deg.C
- Reference substance (positive control):
- not specified
- Key result
- Temp.:
- 25 °C
- Type:
- BCF
- Value:
- 70.79 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: estimated
- Remarks on result:
- other: non bioaccumulative
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for Tetraoctylammonium Bromide (CAS No.14866-33-2) is 70.79 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical Tetraoctylammonium Bromide is non bioaccumulative in food chain.
- Executive summary:
Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for Tetraoctylammonium Bromide (CAS No.14866-33-2) is 70.79 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical Tetraoctylammonium Bromide is non bioaccumulative in food chain.
Reference
BCFBAF Program (v3.01) Results:
==============================
SMILES : CCCCCCCCN(Br)(CCCCCCCC)(CCCCCCCC)CCCCCCCC
CHEM :
MOL FOR: C32 H68 Br1 N1
MOL WT : 546.81
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 1.85 (BCF = 70.8 L/kg wet-wt)
Biotransformation Half-Life (days) : 62.5 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 4.67 (BAF = 4.7e+004 L/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 9.57
Equation Used to Make BCF estimate:
Log BCF = 1.85 (Ionic; 11 or more -CH2- groups)
Estimated Log BCF = 1.850 (BCF = 70.79 L/kg wet-wt)
Description of key information
Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for Tetraoctylammonium Bromide (CAS No.14866-33-2) is 70.79 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical Tetraoctylammonium Bromide is non bioaccumulative in food chain.
Key value for chemical safety assessment
- BCF (aquatic species):
- 70.79 L/kg ww
Additional information
Predicted data from two different sources for the target compound Tetraoctylammonium Bromide (CAS No.14866-33-2) and supporting weight of evidence studies for its read across substance were reviewed for the bioaccumulation end point which is summarized as below:
In a prediction done by using BCFBAF Program (v3.00) model of EPI suite (Estimation Program Interface, 2017) the estimated bio concentration factor (BCF) for Tetraoctylammonium Bromide (CAS No.14866-33-2) is 70.79 L/kg wet-wt at 25 deg. c .
Another prediction done by using Bio-concentration Factor (v12.1.0.50374) module of Advanced Chemistry Development/I-lab predictive model, the bio-concentration Factor of the test chemical Tetraoctylammonium Bromide (CAS no.14866-33-2) at range pH 1-14 was estimated to be 1461 dimensionless.
Last prediction done from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the bioaccumulation i.e BCF for test substance Tetraoctylammonium Bromide (CAS no.14866-33-2) was estimated to be 56.3 dimensionless it is based on the 5 OECD principles.
In a supporting weight of evidence study from authoritative database ( J check, 2017) of read across chemical N,N-dioctyl-1-octanamine(CAS no 1116-76-3) bioaccumulation test was conducted for 8 weeks for determination the bioconcentration factor (BCF) of read across chemical N,N-dioctyl-1-octanamine on test organism Cyprinus carpio. The vehicle used was HCO-40 at first Concentration area 0.5 mg/L and second concentration area 0.05 mg/L. Recovery ratio used was test water at 1st concentration area : 91.1 % and at 2nd concentration area : 101 %, Fish : 97.4 %, and Limit of detection of Test water was at 1st concentration area : 0.001 mg/L, 2nd concentration area : 0.0001 mg/L, Fish : 0.01 mg/L. Nominal concentrations used was 1st Concentration area: 0.05 mg/L (w/v), 2nd Concentration area: 0.005 mg/L (w/v) and Range finding study was carried out on Rice fish (Oryzias latipes) TLm(48h) 5.1 ppm(w/v). The lipid content of fish was 5.1 %. Thus according to static Fish Test the BCF value for N, N-dioctyl-1-octanamine was observed to be 23-101 L/kg at dose concentration 0.05 mg/L and 25-143 L/kg at dose concentration 0.005 mg/L on test organism Cyprinus carpio during 8 weeks period. These BCF values indicate that the read across substance N,N-dioctyl-1-octanamine is not bioaccumulative in fish and food chain as these values are far less than 2000 criteria.
In another supporting weight of evidence study from authoritative database Hazardous Substance Data Bank (HSDB, 2017) the BCF value of read across chemical dimethyl(dioctadecyl)azanium chloride (CAS no. 107-64-2) estimated was 71 dimensionless by using log Kow of 3.80 and regression derived equation and it is far less than 2000 criteria so it is concluded that read across chemical dimethyl(dioctadecyl)azanium chloride is non bioaccumulative.
On the basis of above results for target chemical Tetraoctylammonium Bromide (CAS no.14866-33-2) (from EPI suite, ACD lab and CompTox Chemistry Dashboard, 2017) and for its read across substances (from authoritative database J check and HSDB 2017), it can be concluded that the BCF value of test substance Tetraoctylammonium Bromide ranges from 56.3 to 1461 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical Tetraoctylammonium Bromide is expected to be non-bioaccumulative in the food chain.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.