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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Description of key information

Acute oral toxicity:L

D50 was considered to be 3250 mg/kg bw when Carworth Wistar male rat were treated with 3'-Nitroacetophenone orally by gavage.

Acute dermal toxicity:

LD50 was considered to be 3756 mg/kg bw when rabbits were treated with 3'-Nitroacetophenone by dermal application.

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records
Reference
Endpoint:
acute toxicity: oral
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
secondary literature
Justification for type of information:
Data is from U.S Environmental protection Agency report
Qualifier:
according to guideline
Guideline:
other: as below
Principles of method if other than guideline:
Acute oral toxicity of 3'-Nitroacetophenone in rats
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 (as cited in study report): 3'-Nitroacetophenone
- Molecular formula (if other than submission substance): C8H7NO3
- Molecular weight (if other than submission substance): 165 g/mole
- Substance type: Organic
Species:
rat
Strain:
other: Carworth Wistar
Sex:
male
Details on test animals or test system and environmental conditions:
Weight at study initiation: 90 -120g
Fasting period before study: No fasting
Route of administration:
oral: gavage
Vehicle:
not specified
Details on oral exposure:
VEHICLE
Concentration in vehicle: 3250 mg/kg
Amount of vehicle (if gavage): 1 ml to 10 ml

CLASS METHOD (if applicable)
Rationale for the selection of the starting dose:
Doses were given in a logarithmic series differing by a factor of 2.

Doses:
3250 mg/kg bw
No. of animals per sex per dose:
5 male
Control animals:
not specified
Details on study design:
- Duration of observation period following administration: 14 days
Statistics:
The most probable LD50 value and its fiducial range are estimated by the method of Thompson, using the Tables of Weil. The figures in parentheses show limits of ± 1.96 standard deviations while the absence of parentheses indicates that no range is calculable because no dosage resulted in fractional mortality
Preliminary study:
No data available
Sex:
not specified
Dose descriptor:
LD50
Effect level:
3 250 mg/kg bw
Based on:
test mat.
Remarks on result:
other: 50 % mortality observed.
Mortality:
50 % mortality was observed in treated rats at 3250 mg/kg bw after 14 days
Clinical signs:
other: No data available
Gross pathology:
No data available
Other findings:
No data available
Interpretation of results:
Category 5 based on GHS criteria
Conclusions:
LD50 was considered to be 3250 mg/kg bw when Carworth Wistar male rat were treated with 3'-Nitroacetophenone orally by gavage
Executive summary:

In a Acute oral toxicity study, 5 Carworth Wistar male rats were treated with 3'-Nitroacetophenone in the concentration of 3250 mg/kg bw orally by gavage and observed for 14 days. 50 % mortality was observed in treated rats at 3250 mg/kg bw after 14 days. Therefore, LD50 was considered to be 3250 mg/kg bw when Carworth Wistar male rat were treated with 3'-Nitroacetophenone orally by gavage.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
Value:
3 250 mg/kg bw
Quality of whole database:
Data is Limisch 4 and from German Federal Ministry for the Environment and U.S Environmental protection Agency

Acute toxicity: via inhalation route

Endpoint conclusion
Endpoint conclusion:
no study available

Acute toxicity: via dermal route

Link to relevant study records
Reference
Endpoint:
acute toxicity: dermal
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
secondary literature
Justification for type of information:
Data is from U.S Environmental protection Agency report
Qualifier:
according to guideline
Guideline:
other: as below
Principles of method if other than guideline:
Acute dermal toxicity of 3'-Nitroacetophenone in rabbits
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 (as cited in study report): 3'-Nitroacetophenone
- Molecular formula (if other than submission substance): C8H7NO3
- Molecular weight (if other than submission substance): 165 g/mole
- Substance type: Organic
Species:
rabbit
Strain:
not specified
Sex:
not specified
Details on test animals or test system and environmental conditions:
No data available
Type of coverage:
other: Dermal application
Vehicle:
not specified
Details on dermal exposure:
No data available
Duration of exposure:
No data available
Doses:
3756 mg/kg bw
No. of animals per sex per dose:
No data available
Control animals:
not specified
Details on study design:
- Duration of observation period following administration: 14 days
Statistics:
No data available
Preliminary study:
No data available
Sex:
not specified
Dose descriptor:
LD50
Effect level:
3 756 mg/kg bw
Based on:
test mat.
Remarks on result:
other: 50 % mortality observed.
Mortality:
50 % mortality was observed in treated rabbits at 3756 mg/kg bw after 14 days
Clinical signs:
other: No data available
Gross pathology:
No data available
Other findings:
No data available
Interpretation of results:
Category 5 based on GHS criteria
Conclusions:
LD50 was considered to be 3756 mg/kg bw when rabbits were treated with 3'-Nitroacetophenone by dermal application.
Executive summary:

In a Acute dermal toxicity study, rabbits were treated with 3'-Nitroacetophenone in the concentration of 3756 mg/kg bw by dermal application. 50 % mortality was observed in treated rabbits at 3756 mg/kg bw after 14 days. Therefore,LD50 was considered to be3756 mg/kg bw when rabbits were treated with 3'-Nitroacetophenone by dermal application.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
Value:
3 756 mg/kg bw
Quality of whole database:
Data is Limisch 4 and from German Federal Ministry for the Environment and U.S Environmental protection Agency

Additional information

Acute oral toxicity:

In different studies, Pentene3'-Nitroacetophenone has been investigated for acute oral toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments and estimated data in rodents, i.e. most commonly in rats for 3'-Nitroacetophenone along with the study available on structurally similar read across substance 3-Nitrobenzoyl chloride (CAS no121-90-4) and Benzylacetone (CAS no 2550-26-7). The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.

In a study given by German Federal Ministry for the Environment (2016) and U.S Environmental protection Agency (1976), acute oral toxicity was evaluated in Carworth Wistar male rats by using 3'-Nitroacetophenone in the concentration of 3250 mg/kg bw orally by gavage and observed for 14 days. 50 % mortality was observed in treated rats at 3250 mg/kg bw after 14 days. Therefore, LD50 was considered to be 3250 mg/kg bw when Carworth Wistar male rat were treated with 3'-Nitroacetophenone orally by gavage.

In another prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for 3'-Nitroacetophenone. The LD50 was estimated to be 2734 mg/kg bw when rats were orally exposed with 3'-Nitroacetophenone.

Also it is further supported experimental data conducted by Smythet al(American Industrial Hygiene Association Journal, 30:5, 470-476, 1969) on structurally similar read across substance 3-Nitrobenzoyl chloride (CAS no121-90-4), rats were treated with 3-Nitrobenzoyl chloride orally in the concentration of 2499 mg/kg bw orally. 50 % mortality was observed in treated rats at 2499 mg/kg bw. Therefore, LD50 was considered to be 2499 mg/kg bw (1818.6-3444) when rat were treated with 3-Nitrobenzoyl chloride orally. 

This is further supported by experimental data conductedby Moreno et al(Food and Chemical Toxicology, Volume 21, Issue 5, October 1983, Pages 647-649) on another structurally similar read across substance Benzylacetone (CAS no 2550-26-7), rats were treated with Benzylacetone orally in the concentration of 3200 mg/kg bw orally. 50 % mortality was observed in treated rats at 3200 mg/kg bw. Therefore, LD50 was considered to be 3200 mg/kg bw (2300-4450) when rat were treated with Benzylacetone orally. 

Thus based on the above studies and predictions on 3'-Nitroacetophenone and its read across substances and by considering weight of evidence , it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus comparing this value with the criteria of CLP regulation, 3'-Nitroacetophenone can be ‘Not classified” for acute oral toxicity.

 

Acute dermal toxicity:

In different studies, Pentene3'-Nitroacetophenone has been investigated for acute dermal toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments and estimated data in rodents, i.e. most commonly in rabbits for 3'-Nitroacetophenone along with the study available on structurally similar read across substance Benzylacetone (CAS no 2550-26-7). The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.

In a study given U.S Environmental protection Agency (1976), acute dermal toxicity was evaluated in rabbits by using 3'-Nitroacetophenone in the concentration of 3756 mg/kg bw by dermal application. 50 % mortality was observed in treated rabbits at 3756 mg/kg bw after 14 days. Therefore, LD50 was considered to be 3756 mg/kg bw when rabbits were treated with 3'-Nitroacetophenone by dermal application.

In another prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute dermal toxicity was estimated for 3'-Nitroacetophenone. The LD50 was estimated to be 3825mg/kg bw when rabbits were dermally exposed with 3'-Nitroacetophenone.

Also it is further supported experimental data conducted bMoreno et al(Food and Chemical Toxicology, Volume 21, Issue 5, October 1983, Pages 647-649) on structurally similar read across substance Benzylacetone (CAS no 2550-26-7), rabbits were treated with Benzylacetone in the concentration of 5000 mg/kg bw by dermal application. No mortality was observed in treated rabbits at 5000 mg/kg bw. Therefore, LD50 was considered to be 5000 mg/kg bw when rabbits were treated with Benzylacetone by dermal application.

Thus based on the above studies and predictions on 3'-Nitroacetophenone and its read across substances and by considering weight of evidence , it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus comparing this value with the criteria of CLP regulation, 3'-Nitroacetophenone can be ‘Not classified” for acute dermal toxicity.

Justification for classification or non-classification

Based on the above studies and predictions on 3'-Nitroacetophenone and its read across substances and by considering weight of evidence , it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus comparing this value with the criteria of CLP regulation, 3'-Nitroacetophenone can be ‘Not classified” for acute oral and dermal toxicity.