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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 216-835-0 | CAS number: 1678-91-7
- 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
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- The bioconcentration factor (BCF) of ethylcyclohexane was calculated by the EPI (Estimation Programs Interface) Suite™, a Windows®-based suite of physical/chemical property and environmental fate estimation programs developed by the EPA’s Office of Pollution Prevention Toxics and Syracuse Research Corporation (SRC).The included program BCFBAF estimates the BCF of an organic compound using the compound's log Kow. Substances are classified either as ionic or non-ionic and are divided into 3 classes of log Kow ranges:log Kow <1,log Kow 1 - 7, log Kow > 7. For each range a best-fit refgression was performed using a training dataset. The BCF of substances with log Kow can be described as:log BCF = 0.6598 log Kow + Σ correction factors. The correction factors are based on specific structural features.In addition the bioconcentration factor BCF and the bioaccumulation factor BAF are estimated using the Arnot-Gobas estimation methology. The model consists of the development of a bioaccumulation model, the parameterisation of the model to reflect Canadian conditions and the calibration of the model to a large BCF and BAF database.The model gives a prediction for non-ionic organic chemicals in three general trophic fish levels (lower, middle, upper) in temperate environments and includes mechanistic processes for bioconcentration and bioaccumulation (e.g uptake/elimination at the gill surface, fecal egestion). The model requires the log Kow and the biotransformation rate constant (k,mn/day) as input parameters.The BAF calculations are derived from large datasets of measured BCF's (Great Lakes).The model is calibrated to each trophic level of measured BAF values thus providing estimates that are in general agreement with measured BAFs, thus capturing the overall food web biomagnification potential of chemicals in aquatic food webs for screening assessments.
Data source
Reference
- Reference Type:
- other: Software program
- Title:
- US EPA. [2012]. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11]. United States Environmental Protection Agency, Washington, DC, USA.
- Author:
- United States Environmental Protection Agency, Washington, DC, USA.
- Year:
- 2 012
- Bibliographic source:
- http://www.epa.gov/opptintr/exposure/pubs/episuite.htm
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Guidance on information requirements and chemical safety assessment, Chapter R.6: QSARs and grouping of chemicals, ECHA, May 2008
- Deviations:
- not applicable
- Principles of method if other than guideline:
- The bioconcentration factor (BCF) of ethylcyclohexane was calculated by the EPI (Estimation Programs Interface) Suite™, a Windows®-based suite of physical/chemical property and environmental fate estimation programs developed by the EPA’s Office of Pollution Prevention Toxics and Syracuse Research Corporation (SRC).The included program BCFBAF estimates the BCF of an organic compound using the compound's log Kow. Substances are classified either as ionic or non-ionic and are divided into 3 classes of log Kow ranges:log Kow <1,log Kow 1 - 7, log Kow > 7. For each range a best-fit refgression was performed using a training dataset. The BCF of substances with log Kow can be described as:log BCF = 0.6598 log Kow + Σ correction factors. The correction factors are based on specific structural features.In addition the bioconcentration factor BCF and the bioaccumulation factor BAF are estimated using the Arnot-Gobas estimation methology. The model consists of the development of a bioaccumulation model, the parameterisation of the model to reflect Canadian conditions and the calibration of the model to a large BCF and BAF database.The model gives a prediction for non-ionic organic chemicals in three general trophic fish levels (lower, middle, upper) in temperate environments and includes mechanistic processes for bioconcentration and bioaccumulation (e.g uptake/elimination at the gill surface, fecal egestion). The model requires the log Kow and the biotransformation rate constant (k,mn/day) as input parameters.The BAF calculations are derived from large datasets of measured BCF's (Great Lakes).The model is calibrated to each trophic level of measured BAF values thus providing estimates that are in general agreement with measured BAFs, thus capturing the overall food web biomagnification potential of chemicals in aquatic food webs for screening assessments.
Applicability domain of the model (as given in the EPI SUITE User's Guide):
Currently there is no universally accepted definition of model domain.
Following minimum and maximum values for molecular weight and Kow values are given:
Molecular Weight:
Minimum MW: 68.08 (Furan)
Maximum MW: 991.80 Ionic: (2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3,6-
bis[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt)
Maximum MW: 959.17 Non-Ionic: (Benzene, 1,1 -oxybis[2,3,4,5,6-pentabromo-)
Average MW: 244.00
Log Kow:
Minimum LogKow: -6.50 Ionic: (2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3,6-bis[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt)
Minimum LogKow: -1.37 Non-Ionic: (1,3,5-Triazine-2,4,6-triamine)
Maximum LogKow: 11.26 (Benzenamine, ar-octyl-N-(octylphenyl)-)
3. Adequacy of prediction
The substance ethylcyclohexane falls within the applicability domain described above and, therefore, the predicted value can be considered reliable. - GLP compliance:
- no
Test material
- Reference substance name:
- Ethylcyclohexane
- EC Number:
- 216-835-0
- EC Name:
- Ethylcyclohexane
- Cas Number:
- 1678-91-7
- Molecular formula:
- C8H16
- IUPAC Name:
- ethylcyclohexane
- Test material form:
- liquid: volatile
Constituent 1
- Specific details on test material used for the study:
- CAS Number: 001678-91-7
SMILES : CCC1CCCCC1
CHEM : Ethyl cyclohexane
MOL FOR: C8 H16
MOL WT : 112.22 - Radiolabelling:
- no
Sampling and analysis
- Details on sampling:
- not applicable
Test solutions
- Vehicle:
- no
- Details on preparation of test solutions, spiked fish food or sediment:
- not applicable
Test organisms
- Test organisms (species):
- not specified
- Details on test organisms:
- not applicable
Test conditions
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- TOC:
- not applicable
- Salinity:
- not applicable
- Conductivity:
- not applicable
- Details on test conditions:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Reference substance (positive control):
- not required
- Details on estimation of bioconcentration:
- not applicable
Results and discussion
Bioaccumulation factoropen allclose all
- Key result
- Temp.:
- 25 °C
- Type:
- BCF
- Value:
- 474 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: not applicable
- Remarks on result:
- other: regression-based estimate
- Key result
- Temp.:
- 25 °C
- Type:
- BCF
- Value:
- 730.7 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: not applicable
- Remarks on result:
- other: Arnot-Gobas model (upper trophic)
- Key result
- Temp.:
- 25 °C
- Type:
- BCF
- Value:
- 827.6 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: not applicable
- Remarks on result:
- other: Arnot-Gobas model (mid trophic)
- Key result
- Temp.:
- 25 °C
- Type:
- BCF
- Value:
- 839.2 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: not applicable
- Remarks on result:
- other: Arnot-Gobas model (lower trophic)
- Details on kinetic parameters:
- not applicable
- Metabolites:
- not applicable
- Results with reference substance (positive control):
- not applicable
Any other information on results incl. tables
SMILES : CCC1CCCCC1
CHEM :
MOL FOR: C8 H16
MOL WT : 112.22
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 2.68 (BCF = 474 L/kg wet-wt)
Biotransformation Half-Life (days) : 2.19 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 2.87 (BAF = 737 L/kg wet-wt)
=============================
BCF (Bioconcentration Factor):
=============================
Log Kow (estimated) : 4.08
Log Kow (experimental): 4.56
Log Kow used by BCF estimates: 4.56
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
No Applicable Correction Factors
Estimated Log BCF = 2.676 (BCF = 473.9 L/kg wet-wt)
===========================================================
Whole Body Primary Biotransformation Rate Estimate for Fish:
===========================================================
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Methyl [-CH3] | 0.2451 | 0.2451
Frag | 1 | -CH2- [linear] | 0.0242 | 0.0242
Frag | 5 | -CH2- [cyclic] | 0.0963 | 0.4813
Frag | 1 | -CH - [cyclic] | 0.0126 | 0.0126
L Kow| * | Log Kow = 4.56 (experimental ) | 0.3073 | 1.4015
MolWt| * | Molecular Weight Parameter | | -0.2878
Const| * | Equation Constant | | -1.5058
============+============================================+=========+=========
RESULT | LOG Bio Half-Life (days) | | 0.3398
RESULT | Bio Half-Life (days) | | 2.187
NOTE | Bio Half-Life Normalized to 10 g fish at 15 deg C |
============+============================================+=========+=========
Biotransformation Rate Constant:
kM (Rate Constant): 0.317 /day (10 gram fish)
kM (Rate Constant): 0.1782 /day (100 gram fish)
kM (Rate Constant): 0.1002 /day (1 kg fish)
kM (Rate Constant): 0.05637 /day (10 kg fish)
Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):
Estimated Log BCF (upper trophic) = 2.864 (BCF = 730.7 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 2.868 (BAF = 737.2 L/kg wet-wt)
Estimated Log BCF (mid trophic) = 2.918 (BCF = 827.6 L/kg wet-wt)
Estimated Log BAF (mid trophic) = 2.940 (BAF = 870.6 L/kg wet-wt)
Estimated Log BCF (lower trophic) = 2.924 (BCF = 839.2 L/kg wet-wt)
Estimated Log BAF (lower trophic) = 2.986 (BAF = 967.4 L/kg wet-wt)
Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):
Estimated Log BCF (upper trophic) = 3.537 (BCF = 3443 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 4.287 (BAF = 1.935e+004 L/kg wet-wt)
Applicability domain of the model (as given in the EPI SUITE User's Guide):
Currently there is no universally accepted definition of model domain.
Following minimum and maximum values for molecular weight and Kow values are given:
Molecular Weight:
Minimum MW: 68.08 (Furan)
Maximum MW: 991.80 Ionic: (2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3,6-
bis[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt)
Maximum MW: 959.17 Non-Ionic: (Benzene, 1,1 -oxybis[2,3,4,5,6-pentabromo-)
Average MW: 244.00
Log Kow:
Minimum LogKow: -6.50 Ionic: (2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3,6-bis[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt)
Minimum LogKow: -1.37 Non-Ionic: (1,3,5-Triazine-2,4,6-triamine)
Maximum LogKow: 11.26 (Benzenamine, ar-octyl-N-(octylphenyl)-)
3. Adequacy of prediction
The substance ethylcyclohexane falls within the applicability domain described above and, therefore, the predicted value can be considered reliable.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The BCF of ethylcyclohexane was calculated to be 474 - 839 L/kg. A measured Kow (4.56) was used to calculate the BCF.
- Executive summary:
The bioconcentration of ethylcyclohexane was determined by a non-experimental calculation method.
Ethylcyclohexane is a slightly water soluble, non-polar organic substance.
The calculated BCF's were estimated to be in the range of 474 to 839 L/kg.
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.