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EC number: 203-322-1 | CAS number: 105-68-0
- 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 from OECD QSAR toolbox version 3.3 and the QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Version / remarks:
- No data available
- Deviations:
- not applicable
- Principles of method if other than guideline:
- Prediction was done using the OECD QSAR toolbox version 3.3.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- Name of test material (as cited in study report): Isoamyl propionate
Molecular formula (if other than submission substance): C8H16O2
Molecular weight (if other than submission substance): 144.212
Smiles notation (if other than submission substance): C(OCCC(C)C)(CC)=O
InChl (if other than submission substance):
1S/C8H16O2/c148(9)10657(2)3/h7H,46H2,13H3
Substance type: Organic
Physical state: Liquid - Analytical monitoring:
- not specified
- Details on sampling:
- No data available
- Vehicle:
- not specified
- Details on test solutions:
- No data available
- Test organisms (species):
- Desmodesmus subspicatus (previous name: Scenedesmus subspicatus)
- Details on test organisms:
- No data available
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 72 h
- Remarks on exposure duration:
- No data available
- Post exposure observation period:
- No data available
- Hardness:
- 2.20-3.20 mmol/l
- Test temperature:
- 19.6-20.1°
- pH:
- 7.8-8.1
- Dissolved oxygen:
- 7.1-9.7mg/l
- Salinity:
- Not relevant; freshwater test.
- Conductivity:
- No data avaialble
- Nominal and measured concentrations:
- No data available
- Details on test conditions:
- No data available
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 183.753 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Remarks on result:
- other: Nontoxic
- Details on results:
- No data available
- Results with reference substance (positive control):
- No data available
- Reported statistics and error estimates:
- No data available
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The EC50 value was estimated to be 183.75277 mg/l when Isoamyl propionate exposed to Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) for 48hrs.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) was predicted for Isoamyl propionate (105-68-0) 3-Methylbutyl propanoate. The EC50 value was estimated to be 183.75277 mg/l when Isoamyl propionate exposed to Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) for 48hrs.
Based on the EC50 value it can be consider to be concluded that the chemical Isoamyl propionate was nontoxic to aquatic invertebrates and cannot be classified as toxic as per the CLP classification criteria.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((((("a"
or "b" or "c" )
and "d" )
and "e" )
and ("f"
and (
not "g")
)
)
and "h" )
and "i" )
and "j" )
and "k" )
and ("l"
and "m" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Esters (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Esters by Acute aquatic toxicity
MOA by OASIS
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Esters by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Esters by Acute aquatic toxicity
MOA by OASIS ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Class 3 (unspecific reactivity)
by Acute aquatic toxicity classification by Verhaar (Modified) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 16
- Oxygen O by Chemical elements
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Group 16 - Sulfur S OR Group 17
- Halogens Br OR Group 17 - Halogens F,Cl,Br,I,At by Chemical elements
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Carboxylic acid ester AND
Isopropyl by Organic Functional groups ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Carboxylic acid ester AND
Isopropyl by Organic Functional groups ONLY
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Carboxylic acid ester AND
Isopropyl by Organic Functional groups ONLY
Domain
logical expression index: "l"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.677
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.04
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) was predicted for Isoamyl propionate (105-68-0) 3-Methylbutyl propanoate. The EC50 value was estimated to be 183.75277 mg/l when Isoamyl propionate exposed to Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) for 48hrs.
Based on the EC50 value it can be consider to be concluded that the chemical Isoamyl propionate was nontoxic to aquatic invertebrates and cannot be classified as toxic as per the CLP classification criteria.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 183.753 mg/L
Additional information
Based on the various experimental data and prediction data for the target chemical, study have been reviewed to determine the toxic nature of Isoamyl Propionate (105-68-0) 3-Methylbutyl propanoate on the growth of aquatic algae. The studies are as mentioned below
In the first weight of evidence study for 3-Methylbutyl propanoate; Isoamyl Propionate (105-68-0) Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) was predicted for Isoamyl propionate (105-68-0) 3-Methylbutyl propanoate. The EC50 value was estimated to be 183.75277 mg/l when Isoamyl propionate exposed to Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) for 48hrs. Based on the EC50 value it can be consider to be concluded that the chemical Isoamyl propionate was nontoxic to aquatic invertebrates and cannot be classified as toxic as per the CLP classification criteria.
Similarly in the second weight of evidence study for the RA chemical Octyl Acetate (112-14-1) from ABITEC lab report 2017, Freshwater algal growth inhibition test was carried out on Desmodesmus subspicatus with the substance Octyl Acetate according to OECD Guideline 201. The test substance was dissolved in OECD growth medium and tested at the limit concentration of 100 mg/l. Effects on the growth rate of the organism were studied. The effective concentration (EC2.1) for the test substance, Octyl Acetate, in Desmodesmus subspicatus was determined to be 100 mg/L. As the limit test was performed at 100 mg/l where only 2.1% inhibition of algal cells was occurred. Thus it was estimated that the EC50 concentration was greater than 100 mg/l. Based on this EC2.1 % inhibition value and after comparing with CLP criteria for aquatic classification of the substance it is concluded that the substance Octyl Acetate does not exhibit toxicity to aquatic algae (Desmodesmus subspicatus) and cannot be classified as toxic as per the CLP classification criteria.
In the third weight of evidence study for the second RA chemical Ethylene glycol monoethyl ether acetate (111-15-9), j-check, 2016. Short term toxicity to algae study was carried out for 72 hrs. The study was performed according to OECD guideline 201 (Algal, Growth Inhibition Test). The study was based on the effects of the test compound on algae in a static fresh water system. Based on effect on AUG and growth rate of algae, the 72 hr. EC50 and NOEC value was determined to be > 1000 and 1000 mg/l, respectively. Thus, based on EC50 value, it can be concluded that the substance 2 -Ethoxyethyl acetate can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous, as per the CLP criteria.
In the fourth weight of evidence study for the RA chemical Isobutyl acrylate (106 -63 -8) ecotox, 2017. Short term toxicity study of Isobutyl acrylate on the growth of Scenedesmus Subspicatus (green algae). Study was carried out in static system for(>=49 - <=79) Minute(s). After the exposure of chemical with the green algae, no effect was observed on the population and photosynthesis of green algae. Based on the no inhibition of photosynthesis and population of green algae due to the Isobutyl acrylate, the NOEC was 250 mg/l. Based on the NOEC, it was consider that the chemical was nottoxic and can be consider to be not classified as toxic as per the CLP classification criteria.
As the chemical was readily biodegradable in water and EC50 was greater than 100 mg/l. Thus based on data obtain from various sources for target and RA chemicals, it can be concluded that the substance Isoamyl Propionate (105-68-0) 3-Methylbutyl propanoate is considered to be not toxic to aquatic environment and cannot be classified as toxic as per the criteria mentioned in CLP regulation.
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