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EC number: 218-129-8 | CAS number: 2051-78-7
- 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
Endpoint summary
Administrative data
Description of key information
Short term toxicity to aquatic invertebrates:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the seven closest read across substances, toxicity on daphnia magna predicted for Allyl butyrate (2051-78-7). The EC50 value was estimated to be 169.77 mg/l when Allyl butyrate exposed to daphnia magna for 48 hrs.
Toxicity to aquatic algae and cyanobacteria:
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 Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) predicted for 2-Propen-1-yl butanoate (allyl butyrate). The EC50 value was estimated to be 148.840 mg/l when 2-Propen-1-yl butanoate (allyl butyrate)exposed to Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum)for 72 hrs
Additional information
Summarized result of toxicity of Allyl butyrate (2-Propen-1-yl butanoate) (2051-78-7) on the growth and other activity of aquatic invertebrates, algae and cyanobacteria by considering the data for target as well as RA chemical which was selected on the basis of structure similarity are as follows:
Short term toxicity to aquatic invertebrates:
Based on the various experimental data and prediction data for the target chemical study have been reviewed to determine the toxic nature of Allyl butyrate (2-Propen-1-yl butanoate) (2051-78-7) on the growth of invertebrates. The studies are as mentioned below:
In the first predicted study for the target chemical Allyl butyrate (2051-78-7) from QSAR toolbox 2017, study was carried out. Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the seven closest read across substances, toxicity on daphnia magna predicted for Allyl butyrate (2051-78-7). The EC50 value was estimated to be 169.77 mg/l when Allyl butyrate exposed to daphnia magna for 48 hrs.
In the second experimental weight of evidence study for the RA chemical (105-54-4) from ABITEC report 2017, Determination of the inhibition of the mobility of daphnids was carried out with the substance ethyl butyrate according to OECD Guideline 202. The test substance was tested at the concentrations 0, 0, 10, 20, 40, 80, 160 mg/L. Effects on immobilisation were observed for 48 hours. The median effective concentration (EC50) for the test substance ethyl butyrate in Daphnia magna was determined to be 116.6 mg/L for immobilisation effects. This value indicates that the substance is likely to be non-hazardous to aquatic invertebrates and cannot be classified as toxic as per the CLP criteria.
Similarly in the third weight of evidence study for the second RA chemical (112-14-1) from ABITEC report study was carried out for the determination of the inhibition of the mobility of daphnids by the exposure with the substance Octyl Acetate. Determination of the inhibition of the mobility of daphnids was carried out with the substance Octyl Acetate according to OECD Guideline 202. The test substance was tested at the limit concentration of 100 mg/l. Effects on immobilisation and growth inhibition were observed for 48 hours. The effective concentration (EC8) for the test substance, Octyl Acetate in Daphnia magna was determined to be 100 mg/L for immobilisation and inhibition effects where 8% daphnia inhibited. As the EC8 was at 100 mg/l, thus EC50 was greater than 100 mg/l. So on that basis chemical Octyl Acetate was consider to be not toxic. This value indicates that the substance Octyl Acetate is likely to be non-hazardous to aquatic invertebrates and cannot be classified as toxic as per the CLP criteria.
Similarly in the fourth weight of evidence study for the RA chemical (105-54-4) from HSDB and ECOTOX databases, 2017, Short term toxicity study of Ethylbutyrate was carried out on the growth of Daphnia magna and was observed for 24 hrs. Less than 24 hrs, 5 daphnia were used in fresh water and static condition at 20 -22 degree C temperature. 50% immobility (LC 50) was observed at range concentration of 755 mg/l. Based on the value, ethyl butyrate was considered to be non-toxic to aquatic invertebrates and can be considered to be not classified as per the CLP regulations.
Based on the data obtain from various predicted and experimental studies for the toxicity on invertebrates due to the exposure of Allyl butyrate (2051-78-7) thus it was concluded that the chemical Allyl butyrate, (2051-78-7) was consider as nontoxic and can be consider to be not classified as toxic to aquatic invertebrates as per CLP classification criteria.
Toxicity to aquatic algae and cyanobacteria:
Based on the various experimental data and prediction data for the target chemical study have been reviewed to determine the toxic nature of Allyl butyrate (2051-78-7) on the growth of aquatic algae and cyanobacteria. The studies are as mentioned below:
In the first weight of evidence study for the chemical allyl butyrate, QSAR 2017, 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 Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) predicted for 2-Propen-1-yl butanoate (allyl butyrate). The EC50 value was estimated to be 148.840 mg/l when 2-Propen-1-yl butanoate (allyl butyrate)exposed to Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) for 72 hrs.
In the second experimental weight of evidence study for the RA chemical (105-54-4) from ABITEC report 2017, Freshwater algal growth inhibition test was carried out on Desmodesmus subspicatus with the substance Ethyl butyrate according to OECD Guideline 201. The test substance was dissolved in OECD growth medium and tested at the concentrations 100 mg/L. Effects on the growth rate of the organism were studied. The Inhibitory concentration IC1.5 for the test substance, Ethyl butyrate, in Desmodesmus subspicatus was determined to be 100 mg/L on the basis of effects on growth rate in a 72 hour study. This value indicates that the substance is likely to be non-hazardous to aquatic algae and cannot be classified as toxic as per the CLP criteria.
Similarly in the third weight of evidence study for the second RA chemical (112-14-1) from ABITEC report study was carried out for the determination of the inhibition of the mobility of daphnids by the exposure with the substance Octyl Acetate. 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.
Similarly in the fourth weight of evidence study for the RA chemical (105-54-4) from HSDB and ECOTOX databases, 2017, Short term toxicity to Chlorococcales (green algae) study was carried out for 24 hrs.The study was based on the effects of the test compound Ethyl butyrate (CAS no. 105 -54 -4) on green algae in a static fresh water system. Based on effect on physiology of the test organism Chlorococcales (green algae), the 24 hr EC50 value was determined to be 1000 mg/l, respectively. Thus, based on the EC50 value, it can be concluded that the substance Ethyl butyrate can be considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.
Based on the data obtain from various predicted and experimental studies for the toxicity on aquatic algae due to the exposure of Allyl butyrate (2051-78-7) thus it was concluded that the chemical Allyl butyrate was consider as nontoxic and can be consider to be not classified as toxic to aquatic algae and cyanobacteria as per CLP classification criteria.
Thus based on the overall study from various sources for invertebrates and algae, it was concluded that the chemical Allyl butyrate was consider as nontoxic and can be consider to be not classified as toxic to aquatic invertebrates, algae and cyanobacteria as per CLP classification criteria.
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