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EC number: 205-413-1 | CAS number: 140-39-6
- 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
The substance p-tolyl acetate is likely to be hazardous by oral route and non hazardous by dermal route of exposure.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Data is from peer-reviewed journal
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- The study was conducted to evaluate the acute toxic effects of administration of p-tolyl acetate (CAS No. 140-39-6) in rats by the oral route.
- GLP compliance:
- not specified
- Test type:
- other: No data
- Limit test:
- no
- Specific details on test material used for the study:
- - Name of the test material (IUPAC): 4-methylphenyl acetate
- Molecular Formula: C9H10O2
- Molecular Weight: 150.176 g/mol
- Substance type: Organic
- Physical state: Liquid
- Purity: No data
- Smiles: c1(ccc(C)cc1)OC(C)=O - Species:
- rat
- Strain:
- not specified
- Sex:
- not specified
- Details on test animals or test system and environmental conditions:
- No data available
- Route of administration:
- oral: unspecified
- Vehicle:
- not specified
- Details on oral exposure:
- No data available
- Doses:
- No data available
- No. of animals per sex per dose:
- No data available
- Control animals:
- not specified
- Details on study design:
- No data available
- Statistics:
- No data available
- Preliminary study:
- No data available
- Key result
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- 1 900 mg/kg bw
- Based on:
- test mat.
- 95% CL:
- 1 120 - 3 230
- Remarks on result:
- other: 50 % mortality observed
- Mortality:
- 50 % mortality was observed in treated rats at 1900 mg/kg bw.
- Clinical signs:
- other: No data available
- Gross pathology:
- No data available
- Other findings:
- No data available
- Interpretation of results:
- other: Category 4 based on CLP criteria
- Conclusions:
- LD50 was considered to be 1900 mg/kg bw (1120 -3230) when rats were treated with 4-methylphenyl acetate orally
The acute oral median lethal dose (LD50) of p-tolyl acetate in rat was observed to be 1900 mg/kg bw with 95%CL of 1120 -3230 mg/kg bw. - Executive summary:
The study was conducted to evaluate the acute toxic effects of administration of p-tolyl acetate (CAS No. 140-39-6) in rats by the oral route. 50 % mortality was observed in treated rats at 1900 mg/kg bw. Therefore, the acute oral median lethal dose (LD50) of p-tolyl acetate in rat was observed to be 1900 mg/kg bw with 95%CL of 1120 -3230 mg/kg bw. Thus, according to CLP criteria for acute toxicity rating for the chemicals, it infers that p-tolyl acetate (CAS No. 140-39-6) can be classify as an acute oral toxicant in category 4.
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 1 900 mg/kg bw
- Quality of whole database:
- Data is klimisch 2 and from peer- reviewed journal
Acute toxicity: via inhalation route
Link to relevant study records
- Endpoint:
- acute toxicity: inhalation
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because exposure of humans via inhalation is not likely taking into account the vapour pressure of the substance and/or the possibility of exposure to aerosols, particles or droplets of an inhalable size
Reference
Endpoint conclusion
- Endpoint conclusion:
- no study available
Acute toxicity: via dermal route
Link to relevant study records
- Endpoint:
- acute toxicity: dermal
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Data is from peer-reviewed journal
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Acute dermal toxicity study of p-tolyl acetate (CAS No. 140-39-6) in rabbits was determined.
- GLP compliance:
- not specified
- Test type:
- other: No data
- Limit test:
- no
- Specific details on test material used for the study:
- - Name of test material (IUPAC): 4-methylphenyl acetate
- Molecular formula: C9H10O2
- Molecular weight:150.176 g/mole
- Substance type: Organic
- Physical state: Liquid - Species:
- rabbit
- Strain:
- not specified
- Sex:
- not specified
- Details on test animals or test system and environmental conditions:
- No data available
- Type of coverage:
- not specified
- Vehicle:
- not specified
- Details on dermal exposure:
- No data available
- Duration of exposure:
- No data available
- Doses:
- No data available
- No. of animals per sex per dose:
- No data available
- Control animals:
- not specified
- Details on study design:
- No data available
- Statistics:
- No data available
- Preliminary study:
- No data available
- Key result
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- 2 100 mg/kg bw
- Based on:
- test mat.
- 95% CL:
- 1 240 - 3 570
- Remarks on result:
- other: 50 % mortality observed
- Mortality:
- 50 % mortality was observed in treated rabbits at 2100 mg/kg bw
- Clinical signs:
- other: No data available
- Gross pathology:
- No data available
- Other findings:
- No data available
- Interpretation of results:
- other: Not Classified based on CLP criteria
- Conclusions:
- The acute dermal median lethal dose (LD50) of p-tolyl acetate in rabbit was observed to be 2100 mg/kg bw with 95%CL of 1244 -3570 mg/kg bw.
- Executive summary:
Acute dermal toxicity study of p-tolyl acetate (CAS No. 140-39-6) in rabbits was determined. 50 % mortality was observed in treated rabbits at 2100 mg/kg bw. Therefore, the acute dermal median lethal dose (LD50) of p-tolyl acetate in rabbit was observed to be 2100 mg/kg bw with 95%CL of 1244 -3570 mg/kg bw. Thus, according to CLP criteria for acute toxicity rating for the chemicals, it infers that p-tolyl acetate (CAS No. 140-39-6) does not classify as an acute dermal toxicant.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 2 100 mg/kg bw
- Quality of whole database:
- Data is klimisch 2 and from peer- reviewed journal
Additional information
Acute oral toxicity
In different studies, p-tolyl acetate has been investigated for acute oral toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments in rodents, i.e. most commonly in rats for p-tolyl acetate along with the study available on structurally similar read across substance Phenyl acetate (CAS: 122-79-2). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies.
The study was conducted by by Denine et al.,(Food and Cosmetics Toxicology, 1974) to evaluate the acute toxic effects of administration of p-tolyl acetate (CAS No. 140-39-6) in rats by the oral route. 50 % mortality was observed in treated rats at 1900 mg/kg bw. Therefore, the acute oral median lethal dose (LD50) of p-tolyl acetate in rat was observed to be 1900 mg/kg bw with 95%CL of 1120 -3230 mg/kg bw.
In another prediction done by SSS (2017), the acute toxicity study was predicted using OECD QSAR toolbox version 3.4 (2017) with log kow as the primary descriptor; to evaluate the toxic effects of administration of p-tolyl acetate (CAS No. 140-39-6) in rat by the oral route. 50% mortality was observed at 885.8 mg/kg bw. The acute oral median lethal dose (LD50) of p-tolyl acetate in rat was estimated to be 885.8 mg/kg b.wt.
Also it is further supported by experimental study conducted by Smyth et al (American Industrial Hygiene Association Journal, Volume 30, 1969) on structurally similar read across substance Phenyl acetate (CAS: 122-79-2), rats were treated with Phenyl acetate in the concentration of 1781.59mg /kg bw. The acute oral median lethal dose (LD50) of Phenyl acetate in rat was observed to be 1781.59 mg/kg bw with 95%CL of 1125.79-2994.82 mg/kg bw.
Thus, based on the above studies and predictions on p-tolyl acetate and its read across substances, it can be concluded that LD50 value is less than 2000 mg/kg bw. Thus comparing this value with the criteria of CLP regulation, it infers that p-tolyl acetate (CAS No. 140-39-6) can be classify as an acute oral toxicant in category 4.
Acute toxicity: inhalation
According to column 2 of REACH Annex VIII, the acute toxicity inhalation study need not be conducted because exposure of humans via inhalation route is not likely taking into account the low vapour pressure of the substancep-tolyl acetate, which is reported as0.164 mmHg. Thus, exposure to inhalable dust, mist and vapour of the chemicalp-tolyl acetateis highly unlikely. Therefore this study is considered for waiver.
Acute dermal toxicity
In different studies, p-tolyl acetate has been reviewed for acute dermal toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments in rodents, i.e. most commonly in rabbits for p-tolyl acetate along with the study available on structurally similar read across substances benzyl propionate (CAS No. - 122-63-4) and 4-(3-oxobutyl)phenyl acetate (CAS: 3572-06-3). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies.
The acute dermal toxicity study of p-tolyl acetate (CAS No. 140-39-6) in rabbits was conducted by Denine et al.,(Food and Cosmetics Toxicology, 1974). 50 % mortality was observed in treated rabbits at 2100 mg/kg bw. Therefore, the acute dermal median lethal dose (LD50) of p-tolyl acetate in rabbit was observed to be 2100 mg/kg bw with 95%CL of 1244 -3570 mg/kg bw.
In another prediction done by SSS (2017), the acute toxicity study was predicted using OECD QSAR toolbox version 3.4 (2017) with log kow as the primary descriptor; to evaluate the toxic effects of administration of p-tolyl acetate (CAS No. 140-39-6) in rabbits by the dermal route. 50% mortality was observed in treated rabbits at 7124.6 mg/kg bw. Therefore, the acute dermal median lethal dose (LD50) of p-tolyl acetate in rabbits was estimated to be 7124.6 mg/kg b.wt.
In addition to these studies, Acute Dermal Toxicity Study of Benzyl propionate (CAS No. - 122-63-4) in Wistar Rats, conducted by Sustainability Support Services (Europe) AB, at sa-FORD(Sanctuary for Research and Development), Maharashtra, India. This study was performed as per OECD No.402.
Five male and five female healthy young adult rats were randomly selected and used for conducting acute dermal toxicity study. Rats free from injury and irritation of skin were selected for the study. Twenty four hours prior to dermal application of test item, approximately 10% of body surface area of each rat was clipped. A limit dose of 2000 mg/ kg body weight of test item was applied by single dermal application and observed for 14 days after treatment.
On test day 0, as such amount of test item, calculated based on density (1.0016) and body weight was applied directly on the intact skin of clipped area of rats; the surgical gauze patch was put on to the intact skin of clipped area.This porous gauze dressing was covered with a non-irritating adhesive tape.The porous gauze dressing was wrapped around the abdomen and anchored with non-irritating adhesive tape.After the 24-hour application period, the dressings were removed and the skin was gently wiped with distilled water.The skin reactions were assessed.
The animals were observed daily for mortality and clinical signs, during the acclimatization period. All animals were observed for clinical signs at approximately 1, 2, 3 and 4 hours after treatment on day 0 and once daily during test days 1‑14. Mortality was recorded after application on test day 0 and twice daily during days 1-14 (at least once on the day of sacrifice). Local signs / Skin reactions were observed daily from test days 1-14 (in common with clinical signs). Body weights were recorded on day 0 (prior to application) and on day 7 and 14. All animals were necropsied and examined macroscopically. No mortality was observed in any animal till the end of the experimental period. No clinical signs and any skin reaction were observed throughout the experimental period in all treated animals. The male and female animals were observed with body weight gain throughout the experiment, except on day 7 male animals were observed with decline in mean body weight gain as compared to day 0. The external and internal gross pathological observation of all terminally sacrificed animals did not show any pathological abnormality.
Under the conditions of this; the acute dermal median lethal dose of Benzyl propionate in rat was >2000 mg/kg body weight.
This is further supported by the study of Berozaa et al.(Toxicology and Applied Pharmacology,1975), the undiluted liquid test material (4-(3-oxobutyl)phenyl acetate) was applied, using two male and two female rabbits at a dose of 2025 mg/kg followed by a 14 day observation period. One (trimediure) death were observed and no other mortality was observed in treated rabbits at 2025 mg/kg bw. No skin reactions and no gross pthaological changes were observed in treated rabbits. The acute oral median lethal dose (LD50) of 4-(3-oxobutyl)phenyl acetate in rabbit was observed to be >2025 mg/kg bw.
Thus, based on the above studies and predictions on p-tolyl acetate and its read across substances, it can be concluded that LD50 value is > 2000 mg/kg bw. Thus comparing this value with the criteria of CLP regulation, it infers that p-tolyl acetate (CAS No. 140-39-6) does not classify as an acute dermal toxicant i.e it is acutely non toxic to animals.
Justification for classification or non-classification
Based on the above mentioned studies on p-tolyl acetate (CAS No. – 140-39-6), it can be found that LD50 oral value is in the range of 300 to ≤ 2000 mg/kg b.wt and LD50 dermal value is >2000 mg/kg b.wt. Thus, by comparing these studies with the criteria of CLP regulation, it infers that the test substance p-tolyl acetate (CAS No. – 140-39-6) can be classify as an acute oral toxicant in category 4 whereas p-tolyl acetate does not classify as an acute toxicant by the dermal route.
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