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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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- 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:
- other: as mentioned below
- 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):
- Daphnia magna
- Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 48 h
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 184.506 mg/L
- Nominal / measured:
- not specified
- Conc. based on:
- test mat.
- Basis for effect:
- other: Intoxication
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The EC50 was estimated to be 184 mg/l when Daphnia magna was exposed with 3-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 aquatic toxicity to invertebrates was estimated forcopper, 3-Octanol. The EC50 was estimated to be 184 mg/l when Daphnia magna was exposed with 3-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 7 nearest neighbours
Domain logical expression:Result: In Domain
(((((((("a"
or "b" or "c" or "d" )
and "e" )
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and "n" )
and ("o"
and "p" )
)
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 Neutral Organics by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Benzyl Alcohols OR Halo Alcohols
OR Surfactants-Nonionic by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "h"
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: "i"
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-CH2 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 Number of fused acyclic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as No alert found by
Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Structural alert for
nongenotoxic carcinogenicity OR Substituted n-alkylcarboxylic acids
(Nongenotox) by Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "l"
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: "m"
Referential
boundary: The
target chemical should be classified as Tertiary Carbon by Organic
functional groups (US EPA)
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as hours - days by Biodeg primary
(Biowin 4) ONLY
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.837
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.79
Description of key information
Short-term toxicity to aquatic invertebrates:
In a prediction done by SSS (2018) using the OECD QSAR toolbox with log kow as the primary descriptor, the short term aquatic toxicity to invertebrates was estimated forcopper, 3-Octanol. The EC50 was estimated to be 184 mg/l when Daphnia magna 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.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 184 mg/L
Additional information
Short-term toxicity to aquatic invertebrates:
In a prediction done by SSS (2018) using the OECD QSAR toolbox with log kow as the primary descriptor, the short term aquatic toxicity to invertebrates was estimated forcopper, 3-Octanol. The EC50 was estimated to be 184 mg/l when Daphnia magna was exposed with 3-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 supported by experimental data summarized in Hazardous substance databank for 2-ETHYL-1-HEXANOL U.S National Library of Medicine 2013 and Water Research 38 (2004) 3693–3698 for the structurally similar read across substance 2 -Ethyl-1 -Hexanol (CAS 104 -76 -7).
2-ethylhexan-1-ol was used as a test material to evaluate its toxicity on Daphnia magna for 48 h . The test chemical was introduce in the concentration 100%,50%,25%,12.5% and 6.25% by volume) of solutions of 300 mg/L. The effect concentration (LC50) was observed to be 100 mg/l and the confidence interval is observed within (78-160 mg/l).
The above experimental study was supported by experimental result of another structurally similar read across substance octane-1 -ol (CAS: 111 -87 -5) summarized in Hazardous substance databank for 1-OCTANOL U.S National Library of Medicine 2013.
Octan-1-ol was used as a test material to evaluate toxicity on Daphnia magna in static condition for 42 h. The effect concentration (EC50) of Octan-1-ol on Daphnia magna after 24 h was observed to be 26mg/l.
Even though the above effect concentration is considered as toxic, but Octan-1-ol is readily degradable in aquatic environment . Hence, Octan-1-ol is considered to be non toxic to Daphnia magna.
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
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