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EC number: 209-667-4 | CAS number: 589-98-0
- 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
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- 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:
- Data is predicted using OECD QSAR toolbox version 3.3 and QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 201 (Alga, Growth Inhibition Test)
- Principles of method if other than guideline:
- Prediction was done by using OECD QSAR toolbox v3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: 3-Octanol
- IUPAC name: Octan-3-ol
- Molecular formula: C8H18O
- Molecular weight: 130.229 g/mole
- Smiles : C([C@@H](CC)O)CCCC
- Inchl: 1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
- Substance type: Organic
- Physical state: Colorless Liquid - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Raphidocelis subcapitata (previous names: Pseudokirchneriella subcapitata, Selenastrum capricornutum)
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 96 h
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 114.383 mg/L
- Nominal / measured:
- not specified
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The EC50 was estimated to be 114 mg/l when Pseudokirchneriella subcapitata was exposed with3-Octanol.
On the basis of the effect concentration the test chemical is considered non-toxic and can be classified in the category "Not classified" as per CLP classification. - Executive summary:
In a prediction done by SSS (2018) using the OECD QSAR toolbox with log kow as the primary descriptor, the short term toxicity to algae and cynobacteria was estimated forcopper, 3-Octanol. The EC50 was estimated to be 114 mg/l when Pseudokirchneriella subcapitata was exposed with3-Octanol.
On the basis of the effect concentration the test chemical is considered non-toxic and can be classified in the category "Not classified" as per CLP classification.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
(((((((("a"
or "b" or "c" or "d" )
and "e" )
and "f" )
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and "k" )
and "l" )
and ("m"
and "n" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Alcohol AND Hydroxy compound AND
Secondary alcohol by Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Hydroxy,
aliphatic attach [-OH] by Organic functional groups (US EPA)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Alcohol by Organic Functional
groups (nested)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Alcohol by Organic Functional
groups
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Class 1 (narcosis or baseline
toxicity) by Acute aquatic toxicity classification by Verhaar (Modified)
ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Basesurface narcotics by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Aliphatic alcohol [-OH] AND
-CH- [linear] AND -CH2- [linear] AND Linear C4 terminal chain
[CCC-CH3] AND Methyl [-CH3] by Bioaccumulation - metabolism alerts
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Aliphatic ether [C-O-C] OR
Alkyl substituent on aromatic ring OR Aromatic ether [-O-aromatic
carbon] OR Aromatic-CH OR Aromatic-CH2 OR Aromatic-CH3 OR Aromatic-H OR
Benzene OR -C=CH [alkenyl hydrogen] OR Carbon with 4 single bonds & no
hydrogens OR -CH - [cyclic] OR -CH2- [cyclic] OR Naphthalene OR Number
of fused 6-carbon aromatic rings OR Number of fused acyclic rings OR
Unsubstituted phenyl group (C6H5-) by Bioaccumulation - metabolism alerts
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Alcohol by Organic Functional
groups
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Dihydroxyl group by Organic
Functional groups
Domain
logical expression index: "k"
Similarity
boundary:Target:
CCCCCC(O)CC
Threshold=50%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as days - weeks by Biodeg ultimate
(Biowin 3) ONLY
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.766
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.7
Description of key information
Toxicity to aquatic algae and cynobacteria:
In a prediction done by SSS (2018) using the OECD QSAR toolbox with log kow as the primary descriptor, the short term toxicity to algae and cynobacteria was estimated forcopper, 3-Octanol. The EC50 was estimated to be 114 mg/l whenPseudokirchneriella subcapitatawas exposed with3-Octanol.
On the basis of the effect concentration the test chemical is considered non-toxic and can be classified in the category "Not classified" as per CLP classification.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 114 mg/L
Additional information
Toxicity to aquatic algae and cynobacteria:
In a prediction done by SSS (2018) using the OECD QSAR toolbox with log kow as the primary descriptor, the short term toxicity to algae and cynobacteria was estimated forcopper, 3-Octanol. The EC50 was estimated to be 114 mg/l whenPseudokirchneriella subcapitatawas exposed with3-Octanol.
On the basis of the effect concentration the test chemical is considered non-toxic and can be classified in the category "Not classified" as per CLP classification.
The above prediction was suppported by experimental study summarized in ECOTOX database, U. S. Environmental Protection Agency, 2018 for the structurally similar read across substance 2 Ethylhexanol (CAS: 104 -76 -7).
2-Ethylhexanol was used as a test material to evaluate its toxicity on Chlorella emersonii (Green Algae) strain STRAIN 211/8 H the effect concentration was observed to be 10-50 mg/l at 48 h.
The above effect concentration was considered to be toxic, but the test chemical 2-Ethylhexanol was readily biodegradable .Hence , 2-Ethylhexanol can be considered as “Not classified” for toxicity to algae and cynobacteria.
Exeperimental study of another structurally similar read across substance Hexan-1-ol (111 -27 -3) was used to support above result summarized in
ECOTOX database, U. S. Environmental Protection Agency, 2018.
Hexan-1-ol was used as a test material to evaluate its toxicity on Chlorococcales green algae for 24 hrs in static condition . The effect concentration (EC50) at which population of algae was effect was observed to be 230 mg/l.
On the basis of effect concentration of tarfet as well as read across substance and considering the property of readily biodegradibility of the test chemical
3-Octanol can be considered non- toxic to aquatic invertebrates and can be classified as " Not classified" as per CLP
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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