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Diss Factsheets
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EC number: 226-024-3 | CAS number: 5223-06-3
- 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
Short-term toxicity to aquatic invertebrates
Administrative data
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Scientifically acceptable calculation method
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: software application
- Title:
- ECOSAR (ECOlogical Structure Activity Relationship) Class Programm fpr Microsoft Windows , U. S. Environmental Protection Agency ; ECOSAR™ Version 1.11 [2012]
- Author:
- U.S. Environmental Protection Agency 1200 Pennsylvania Ave., N.W. (Mail Code 7406M) Washington, DC 20460
- Year:
- 2 013
- Bibliographic source:
- http://www.epa.gov/oppt/newchems/tools/21ecosar.htm
Materials and methods
Test guideline
- Guideline:
- other: REACH guidance on QSARs Chapter R.6 , May 2008
- Principles of method if other than guideline:
- The estimation for short-term toxicity to daphnia of the test material was performed with US-EPA software ECOSAR v1.11. ECOSAR is currently programmed to identify over 120 chemical classes. For those classes, there are a more than 600 QSARs based on publicly available experimental data and confidential studies collected under the EPA New Chemicals Program. For each class, a standard EPA New Chemicals Program aquatic toxicity profile will be created using available QSARs and/or alternate QSAR approaches and professional judgment.
- GLP compliance:
- no
- Remarks:
- (not applicable)
Test material
- Reference substance name:
- 5-ethylpyridine-2-ethanol
- EC Number:
- 226-024-3
- EC Name:
- 5-ethylpyridine-2-ethanol
- Cas Number:
- 5223-06-3
- Molecular formula:
- C9H13NO
- IUPAC Name:
- 2-(5-ethylpyridin-2-yl)ethan-1-ol
- Test material form:
- not specified
- Details on test material:
- - Name of test material (as cited in study report) : 2-(5-ethylpyridin-2-yl)ethanol ; EPE
- SMILES : n1c(CCO)ccc(CC)c1
Constituent 1
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
Not applicable
Sampling and analysis
- Analytical monitoring:
- not required
- Details on sampling:
- Not applicable
Test solutions
- Details on test solutions:
- Not applicable
Test organisms
- Test organisms (species):
- other: daphnia , not further specified
- Details on test organisms:
- No details available
Study design
- Test type:
- other: QSAR estimation
- Water media type:
- not specified
- Total exposure duration:
- 48 h
- Post exposure observation period:
- Not applicable
Test conditions
- Hardness:
- No details available
- Test temperature:
- No details available
- pH:
- No details available
- Dissolved oxygen:
- No details available
- Salinity:
- No details available
- Nominal and measured concentrations:
- No details available
- Details on test conditions:
- No details available
- Reference substance (positive control):
- not required
- Remarks:
- (not applicable)
Results and discussion
Effect concentrationsopen allclose all
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 223.369 mg/L
- Remarks on result:
- other: calculated value ECOSAR CLASS : Neutral Organics
- Dose descriptor:
- other: ChV
- Effect conc.:
- 18.75 mg/L
- Remarks on result:
- other: calculated value ECOSAR CLASS : Neutral Organics
- Details on results:
- No details available
- Results with reference substance (positive control):
- Not applicable
- Reported statistics and error estimates:
- Not applicable
Any other information on results incl. tables
ECOSAR Version 1.11 Results Page
SMILES : n1c(CCO)ccc(CC)c1
CHEM : 2-(5-ethylpyridin-2-yl)ethanol ; EPE
CAS Num: 005223-06-3
ChemID1:
MOL FOR: C9 H13 N1 O1
MOL WT : 151.21
Log Kow: 1.416 (EPISuite Kowwin v1.68 Estimate)
Log Kow: (User Entered)
Log Kow: (PhysProp DB exp value - for comparison only)
Melt Pt: (User Entered for Wat Sol estimate)
Melt Pt: (deg C, PhysProp DB exp value for Wat Sol estimate)
Wat Sol: 2.986E+005 (mg/L, EPISuite WSKowwin v1.43 Estimate)
Wat Sol: (User Entered)
Wat Sol: (PhysProp DB exp value)
--------------------------------------
Values used to Generate ECOSAR Profile
--------------------------------------
Log Kow: 1.416 (EPISuite Kowwin v1.68 Estimate)
Wat Sol: 2.986E+005 (mg/L, EPISuite WSKowwin v1.43 Estimate)
------------------------------------------------
Available Measured Data from ECOSAR Training Set
------------------------------------------------
No Data Available
--------------------------------------
ECOSAR v1.1 Class-specific Estimations
--------------------------------------
Neutral Organics
Predicted
ECOSAR Class Organism Duration End Pt mg/L (ppm)
=========================== ================== ======== ====== ==========
Neutral Organics : Fish 96-hr LC50 415.166
Neutral Organics : Daphnid 48-hr LC50 223.369
Neutral Organics : Green Algae 96-hr EC50 133.162
Neutral Organics : Fish ChV 38.082
Neutral Organics : Daphnid ChV 18.750
Neutral Organics : Green Algae ChV 30.929
Neutral Organics : Fish (SW) 96-hr LC50 520.841
Neutral Organics : Mysid 96-hr LC50 574.739
Neutral Organics : Fish (SW) ChV 39.588
Neutral Organics : Mysid (SW) ChV 59.056
Neutral Organics : Earthworm 14-day LC50 302.197
Note: * = asterisk designates: Chemical may not be soluble enough to
measure this predicted effect. If the effect level exceeds the
water solubility by 10X, typically no effects at saturation (NES)
are reported.
------------------------------
Class Specific LogKow Cut-Offs
------------------------------
If the log Kow of the chemical is greater than the endpoint specific cut-offs
presented below, then no effects at saturation are expected for those endpoints.
Neutral Organics:
----------------
Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50, Mysid LC50)
Maximum LogKow: 6.0 (Earthworm LC50)
Maximum LogKow: 6.4 (Green Algae EC50)
Maximum LogKow: 8.0 (ChV)
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Remarks:
- (Scientifically accepted calculation method.)
- Conclusions:
- The study report describes a scientifically accepted calculation method for the prediction of short-term toxicity to daphnia using the US-EPA software ECOSAR v1.11.No GLP criteria are applicable for the usage of this tool and the QSAR estimation is easily repeatable.
- Executive summary:
The prediction for short-term toxicity to daphnia of the test substance was determined by the computer program ECOSAR v1.11 by US-EPA .ECOSAR is currently programmed to identify over 120 chemical classes. For those classes, there are a more than 600 QSARs based on publicly available experimental data and confidential studies collected under the EPA New Chemicals Program. For each class, a standard EPA New Chemicals Program aquatic toxicity profile will be created using available QSARs and/or alternate QSAR approaches and professional judgment.
The prediction for ECOSAR Class Neutral Organics resulting in a value for daphnia LC50(48h) of 223.369 mg/L and ChV of 18.750 mg/L .
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.
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