Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 225-895-7 | CAS number: 5137-52-0
- 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
Endpoint summary
Administrative data
Description of key information
Biodegradation in water:
Biodegradability of test chemical pentyl-2- phenylacetate is predicted using OECD QSAR tool box v.3.3 using log Kow as primary descriptor. The test chemical pentyl-2-phenylacetate showed 90.800 % biodegradability in 28 days by considering BOD as a parameter and microrganisms as a inoculum therefore it is concluded that this test chemical pentyl-2-phenylacetate is readily biodegradable.
Biodegradation in water and sediment:
Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound pentyl 2-phenylacetate (CAS No. 5137 -52 -0). If released in to the environment, 22.3 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of the chemical pentyl 2-phenylacetate in water is estimated to be 15 days (360 hrs). The half-life (15 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is low whereas the half-life period of pentyl 2-phenylacetate in sediment is estimated to be 135 days (3240 hrs).
However, as the percentage release of test chemical into the sediment is less than 2 % (i.e, reported as 1.01%), indicates that test chemical pentyl 2 -phenylacetate is not persistent in sediment.
Biodegradation in soil:
The half-life period of pentyl 2 -phenylacetate (CAS No.5137 -52 -0) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 65.3 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of pentyl 2 -phenylacetate in soil is estimated to be 30 days ( 720 hrs). Based on this half-life value of pentyl 2 -phenylacetate, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is low.
Additional information
Biodegradation in water:
Two different predicted data study for target chemical pentyl 2- phenylacetate ( CAS No. 5137 -52 -0) and supporting weight of studies for its read across chemicals were reviwed for the biodegrdation endpoint which are summarized as below.
Biodegradability of test chemical pentyl-2- phenylacetate is predicted using OECD QSAR tool box v.3.3 using log Kow as primary descriptor. The test chemical pentyl-2-phenylacetate showed 90.800 % biodegradability in 28 days by considering BOD as a parameter and microrganisms as a inoculum therefore it is concluded that this test chemical pentyl-2-phenylacetate is readily biodegradable.
Another prediction is done by using Estimation Programs Interface Suite (EPI suite, 2017).The biodegradation potential of the test compound pentyl 2 -phenylacetate (CAS no. 5137 -52 -0) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that test chemical pentyl 2 -phenylacetate is considered to be readily biodegradable.
In a supporting weight of evidence of the Ready Biodegradability of read across chemical Benzyl Butyrate( CAS no. 103-37-7) was determined by the Manometric respirometry method by Givaudan Suisse SA Ecotoxicological Laboratory, 5, ch. de la Parfumerie,CH-1214 Vernier/Geneva, Switzerland, Sustainability Support Service (Europe) AB laboratory with acess rights from Givaudan-Regulatory Affairs and Product Safety, Company study no.11-E225, 2011).
The method used is basically the one described under No.301 F in the OECD Guidelines for testing of Chemicals. A measured volume of inoculated mineral medium, containing a known concentration of read across substance 30 mg/L as the nominal sole source of organic carbon, is stirred in a closed flask at a constant temperature (± 1°C) for up to 28 days. Evolved carbon dioxide is absorbed in sodium hydroxide pellets. The consumption of oxygen is determined by measuring the pressure drop in the respirometer flask. The Biological Oxygen Demand (BOD), amount of oxygen taken up by the microbial population during biodegradation of the read across chemical benzyl butyrate (corrected for uptake by blank inoculum, run in parallel) is expressed as a percentage of ThOD (Theoretical Oxygen Demand, calculated from the elemental composition, assuming that carbon is oxidized to carbon dioxide, hydrogen to water and nitrogen to ammonium, nitrite or nitrate). Benzyl Butyrate undergoes 88% biodegradation after 28 days (87% after 62 days) in the test conditions. The10-day window criterion is also fulfilled (20% biodegradation on day 1 and 77% on day 11). Thus, Benzyl Butyrate should be regarded as readily biodegradable according to this test. Benzyl Butyrate did not inhibit the intrinsic respiration of the inoculum at the test concentration and was therefore considered to be non-toxic to the inoculum at the test concentration.
In another supporting weight of evidence study from journal Chemosphere (vol 23. 1991) by author R R Birch and R J Fletcher under the title "The Application of Dissolved Inorganic Carbon Measurements to the Study of Aerobic Biodegradability” biodegradability of read across chemical benzyl acetate (CAS no. 140-11-4) was determined by using the OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test) and Other guideline: New Biodegradability Test developed. The Sturm method was used in conjunction to validate the results of the new method. The test was performed under aerobic conditions using activated sludge as an inoculum with conc. of 30 mg/l and initial test substance conc. is 10 mg/l (ranges from 2 – 10 mg/l).The test substance in a dilute mineral salts solution is incubated in sealed vessels with appropriate micro-organisms for a period of up to 28 days. Controls containing the 0.5 to 10% inoculum concentration without test chemical are also prepared.
A vessel is removed from the shaker as required, a sample of the headspace gas withdrawn using a gas syringe and the concentration of carbon dioxide determined. The seal is then broken and the concentration of dissolved inorganic carbon (DIC) in the solution is measured immediately, Control vessel were also measured similarly. The difference in the total inorganic carbon determined in the benzyl acetate containing vessel and control vessels allows the quantity of carbon dioxide produced from the read across compound to be ascertained. The determination of carbon dioxide in both gaseous and aqueous samples was performed using a modified Ionics 555 TC-T°C Analyser. Carbon dioxide is released from aqueous samples of carbonate/bicarbonate by direct injection using a 0-200 µl Hamilton constant rate syringe onto an inert support loaded with phosphoric acid. The temperature in the reaction chamber is controlled at 150°C and pure nitrogen is used as the carrier gas. The detection system is a high sensitivity non-dispersive infra-red analyser. Gaseous samples are injected using a good quality gastight syringe. A preliminary study was conducted using 2 mg/L of read across substance conc.
The percentage biodegradation of read across chemical benzyl acetate was determined to be 100.9% with standard deviation of 2.5 and 95% confidence interval of 96.9 – 104.9. Thus, the read across chemical benzyl acetate was determined to be readily biodegradable.
On the basis of results of above mentioned studies for target chemical pentyl-2 -phenylacetate (from OECD QSAR tool box v3.3 and EPI suite) and supporting weight of evidence study ( from Givaudan Suisse SA Ecotoxicological Laboratory report 2017 and Chemosphere Journal 1991). It is concluded that the test chemical pentyl-2- phenyl acetate can be expected to be readily biodegradable.
Biodegradation in water and Sediments:
Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound pentyl 2-phenylacetate (CAS No. 5137 -52 -0). If released in to the environment, 22.3 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of the chemical pentyl 2-phenylacetate in water is estimated to be 15 days (360 hrs). The half-life (15 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is low whereas the half-life period of pentyl 2-phenylacetate in sediment is estimated to be 135 days (3240 hrs).
However, as the percentage release of test chemical into the sediment is less than 2 % (i.e, reported as 1.01%), indicates that test chemical pentyl 2 -phenylacetate is not persistent in sediment.
Biodegradation in soil:
The half-life period of pentyl 2 -phenylacetate (CAS No.5137 -52 -0) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 65.3 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of pentyl 2 -phenylacetate in soil is estimated to be 30 days ( 720 hrs). Based on this half-life value of pentyl 2 -phenylacetate, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is low.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.