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EC number: 218-792-3 | CAS number: 2235-46-3
- 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
Skin Irritation:
Primary Dermal Irritation score for N,N-Diethyl-3-oxobutyramide was Grade 1.
Based on the grade, N,N-Diethyl-3-oxobutyramide was considered to be not irritating to skin.
Eye Irritation:
Based on the available data for the structurally similar read across substances and applying the weight of evidence approach,it can be concluded that the target chemical will also tend to behave in a similar that of the read across substances.
Therefore, N,N-diethyl-3-oxobutanamide was estimated to be not irritating to eyes and it can be further classified under the category “Not Classified” as per CLP regulation.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- 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 journals
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- Primary dermal irritation study was performed in rabbits to assess the irritation potential of N,N-diethyl-3-oxobutanamide
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material : N,N-diethyl-3-oxobutanamide- Molecular formula: C8H15NO2- Molecular weight: 157.212 g/mol- Smiles notation: N(C(CC(C)=O)=O)(CC)CC- InChl : 1S/C8H15NO2/c1-4-9(5-2)8(11)6-7(3)10/h4-6H2,1-3H3- Substance type: Organic- Physical state: Liquid
- Species:
- rabbit
- Strain:
- other: albino
- Details on test animals or test system and environmental conditions:
- no data available
- Type of coverage:
- open
- Preparation of test site:
- other: closely clipped abdominal skin
- Vehicle:
- unchanged (no vehicle)
- Controls:
- not specified
- Amount / concentration applied:
- 0.01 ml of undiluted sample
- Duration of treatment / exposure:
- 24 hours
- Observation period:
- 24 hours
- Number of animals:
- 5
- Details on study design:
- TEST SITEArea of exposure: closely clipped, intact abdominal skin% coverage: No dataType of wrap if used: no wrap used REMOVAL OF TEST SUBSTANCEWashing (if done): no dataTime after start of exposure: no dataSCORING SYSTEM:Primary skin irritation on rabbits was recorded in a 10-grade ordinal series. Grade 1 indicates no irritation and Grade 2 the least visible capillary injection from the undiluted chemical. Grade 6 indicates necrosis when undiluted and Grade 10 indicates necrosis from a 0.01% solution
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 24 h
- Score:
- 1
- Max. score:
- 10
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- Grade 1- no isgns of irritation observed
- Interpretation of results:
- other: not irritating
- Conclusions:
- Acute dermal irritation study was carried out to assess the irritation potential of N,N-Diethyl-3-oxobutyramide.Primary Dermal Irritation score for N,N-Diethyl-3-oxobutyramide was Grade 1.Based on the grade, N,N-Diethyl-3-oxobutyramide was considered to be not irritating to skin.
- Executive summary:
Acute dermal irritation study was carried out to assess the irritation potential of N,N-Diethyl-3-oxobutyramide.
Primary skin irritation on rabbits was recorded in a 10-grade ordinal series and was based upon the severest reaction that develops on the clipped abdominal skin of each of five albino rabbits within 24 hours of the uncovered application of 0.01 ml of undiluted sample or of solutions in water, propylene glycol, or acetone.
Grade 1 indicates no irritation and Grade 2 the least visible capillary injection from the undiluted chemical. Grade 6 indicates necrosis when undiluted and Grade 10 indicates necrosis from a 0.01% solution.Primary Dermal Irritation score forN,N-Diethyl-3-oxobutyramidewas Grade 1.
Based on the grade, N,N-Diethyl-3-oxobutyramide was considered to be not irritating to skin.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: weight of evidence based on structurally similar read across chemicals
- Justification for type of information:
- weight of evidence based on structurally similar read across chemicals
- Reason / purpose for cross-reference:
- read-across: supporting information
- Reason / purpose for cross-reference:
- read-across: supporting information
- Qualifier:
- according to guideline
- Guideline:
- other: Weight of evidence approach based on similar chemicals
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: N,N-diethyl-3-oxobutanamide- Molecular formula: C8H15NO2- Molecular weight: 157.212 g/mol- Smiles notation: N(C(CC(C)=O)=O)(CC)CC- InChl : 1S/C8H15NO2/c1-4-9(5-2)8(11)6-7(3)10/h4-6H2,1-3H3- Substance type: Organic- Physical state: Liquid
- Species:
- rabbit
- Strain:
- not specified
- Vehicle:
- unchanged (no vehicle)
- Controls:
- not specified
- Amount / concentration applied:
- 1. 0.5 ml2. 0.1 ml
- Duration of treatment / exposure:
- 1. 24 hours2. single
- Observation period (in vivo):
- 1. 24 hours2. 1,4,24 hours
- Duration of post- treatment incubation (in vitro):
- no data available
- Number of animals or in vitro replicates:
- 1. 52. 6
- Details on study design:
- The study is based on the results from the read across chemicals
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 24 h
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- no signs of irritation observed
- Interpretation of results:
- other: not irritating
- Conclusions:
- Based on the available data for the structurally similar read across substances and applying the weight of evidence approach, it can be concluded that the target chemical will also tend to behave in a similar that of the read across substances. Therefore, N,N-diethyl-3-oxobutanamide was estimated to be not irritating to eyes and it can be further classified under the category “Not Classified” as per CLP regulation.
- Executive summary:
Based on the available studies for the structurally similar read across chemicals, weight of evidence approach was applied to assess the ocular irritation potential of N,N-diethyl-3 -oxobutanamide.
Acute toxicity studies were carried out to estimate the toxicity of the structurally similar chemical.
Eye injury in rabbits was recorded in a 10- grade ordinal series and was based upon the degree of corneal necrosis that results from instillation of various volumes and concentrations of chemical. Grade 1 indicates at most a very small area of necrosis resulting from 0.5 ml of undiluted chemical in the eye. Grade 5 indicates a so-called severe burn from 0.005 ml, and Grade 10 indicates a severe burn from 0.5 ml of a 1% solution in water or propylene glycol.
Primary Eye Irritation score after 24 hours for the test chemical was Grade 2. Based on the grade, the test chemical was considered to be not irritating to eyes.
This is supported by the results of a study was performed to determine the primary ocular irritation potential of the other structurally similar chemical in rabbits.
0.1 ml of the test chemical was instilled Into the Inferior Conjunctival Sac of One Eye of Each of Six New Zealand white Rabbits. The eyelids were held together for 1 second. The treated eyes were observed for conjunctival redness, chemosis and iridial inflammation, corneal injury at1,4,24 hours and 2,3,7 days post instillation. Corneal integrity was checked before dosing by the instillation of 2% Fluorescein and irrigation with water 20 seconds later. Only animals without Fluorescein staining were used.
There was no evidence of corneal injury on macroscopic inspection or following the instillation of 2% fluorescein.
At 1-hr post instillation there was just detectable excess conjunctival redness in 5 rabbits, of which 2 showed slight chemosis and 1 a moderate chemosis. Mild iritis was seen in 2 animals, persisting up to 4 hr. All eyes got completely healed by 24 hr post instillation.
The Primary irritation scores after 24 hours for conjunctival redness, chemosis, discharge and iris were 0.
Based on the scores and observations, the test chemical can be considered to be not irritating to eyes.
Based on the available data for the structurally similar read across substances and applying the weight of evidence approach, it can be concluded that the target chemical will also tend to behave in a similar that of the read across substances. Therefore, N,N-diethyl-3-oxobutanamide was estimated to be not irritating to eyes and it can be further classified under the category “Not Classified” as per CLP regulation.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin Irritation:
In different studies,N,N-diethyl-3-oxobutanamidehas been investigated for potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits for target chemical as well as its structurally similar read across chemicals. The results are summarized as follows:
Acute dermal irritation study was carried out to assess the irritation potential of N,N-Diethyl-3-oxobutyramide. Primary skin irritation on rabbits was recorded in a 10 -grade ordinal series and was based upon the severest reaction that develops on the clipped abdominal skin of each of five albino rabbits within 24 hours of the uncovered application of 0.01 ml of undiluted sample or of solutions in water, propylene glycol, or acetone.
Grade 1 indicates no irritation and Grade 2 the least visible capillary injection from the undiluted chemical. Grade 6 indicates necrosis when undiluted and Grade 10 indicates necrosis from a 0.01% solution. Primary Dermal Irritation score for N,N-Diethyl-3-oxobutyramide was Grade 1.
Based on the grade, N,N-Diethyl-3-oxobutyramide was considered to be not irritating to skin.
This is supported by the results of another study performed to determine the dermal irritation potential of the test chemical in rabbits.500 mg of the test chemical was applied to the skin of rabbits and observed for signs of irritation till 24 hours.
Mild irritation was observed after 24 hours exposure toN,N-diethyl-3-oxobutanamide to rabbit skin.
Hence, N,N-diethyl-3-oxobutanamide can be considered to be irritating to skin.
Skin irritation effects were also estimated by four different models i.e, Battery, Leadscope, SciQSAR and CASE Ultra used within Danish QSAR database forN,N-diethyl-3-oxobutanamide. Based on estimation, no severe skin irritation effects were known when N,N-diethyl-3-oxobutanamidewas exposed to rabbit skin. Hence, N,N-diethyl-3-oxobutanamide can be considered not irritating to skin.
The above results are supported by an acute dermal irritation study carried out to assess the irritation potential of the structurally similar chemical.
Primary skin irritation on rabbits was recorded in a 10-grade ordinal series and was based upon the severest reaction that develops on the clipped abdominal skin of each of five albino rabbits within 24 hours of the uncovered application of 0.01 ml of undiluted sample or of solutions in water, propylene glycol, or acetone.
Grade 1 indicates no irritation and Grade 2 the least visible capillary injection from the undiluted chemical. Grade 6 indicates necrosis when undiluted and Grade 10 indicates necrosis from a 0.01% solution. Primary Dermal Irritation score for the test chemical was Grade 2.
Based on the grade, the test chemical was considered to be not irritating to skin.
These results are further supported by the study performed to determine the primary dermal irritation potential of the structurally similar chemical in rabbits.
0.5 ml undiluted test chemical was applied to the clipped dorsal skin of 6 New Zealand White rabbits under occlusive wrapping for 4 hours. After 4 hours of exposure, the occlusive dressing was removed and the excess test chemical was gently removed. The test sites were inspected for erythema and edema at 1 hour, 1, 2, 3, 7 and 14 days post removal of the dressing. The dermal reactions were scored by the methods of Draize.
5of6rabbits had a very slight local erythema, which also developed in the sixth animal by 24 hr. Edema, slight in 5 rabbits and moderate in one, was also present. After 3 days, only half the animals had just detectable erythema, and one had mild edema. Apart from mild desquamation, no effects were seen at7days.
Since the effects were completely healed by 7 days, the test chemical can be considered to be not irritating to skin.
Even though one study for the target chemical claims that N,N-diethyl-3-oxobutanamide can cause mild irritation to rabbit skin. But results from other experimental and estimated studies for the target chemical, indicate a possibility of it being not irritating to skin. These results are also supported by the information available for the strongly structurally similar read across chemicals. Hence by applying the weight of evidence approach, N,N-diethyl-3-oxobutanamide can be considered to be not irritating to skin.Comparing the above annotations with the criteria of CLP regulation,N,N-diethyl-3-oxobutanamidecan be classified under the category “Not Classified”.
Eye Irritation:
Based on the available studies for the structurally similar read across chemicals, weight of evidence approach was applied to assess the ocular irritation potential of N,N-diethyl-3 -oxobutanamide.
Acute toxicity studies were carried out to estimate the toxicity of the structurally similar chemical.
Eye injury in rabbits was recorded in a 10- grade ordinal series and was based upon the degree of corneal necrosis that results from instillation of various volumes and concentrations of chemical. Grade 1 indicates at most a very small area of necrosis resulting from 0.5 ml of undiluted chemical in the eye. Grade 5 indicates a so-called severe burn from 0.005 ml, and Grade 10 indicates a severe burn from 0.5 ml of a 1% solution in water or propylene glycol.
Primary Eye Irritation score after 24 hours for the test chemical was Grade 2. Based on the grade, the test chemical was considered to be not irritating to eyes.
This is supported by the results of a study was performed to determine the primary ocular irritation potential of the other structurally similar chemical in rabbits.
0.1 ml of the test chemical was instilled Into the Inferior Conjunctival Sac of One Eye of Each of Six New Zealand white Rabbits. The eyelids were held together for 1 second. The treated eyes were observed for conjunctival redness, chemosis and iridial inflammation, corneal injury at1,4,24 hours and 2,3,7 days post instillation. Corneal integrity was checked before dosing by the instillation of 2% Fluorescein and irrigation with water 20 seconds later. Only animals without Fluorescein staining were used.
There was no evidence of corneal injury on macroscopic inspection or following the instillation of 2% fluorescein.
At 1-hr post instillation there was just detectable excess conjunctival redness in 5 rabbits, of which 2 showed slight chemosis and 1 a moderate chemosis. Mild iritis was seen in 2 animals, persisting up to 4 hr. All eyes got completely healed by 24 hr post instillation.
The Primary irritation scores after 24 hours for conjunctival redness, chemosis, discharge and iris were 0.
Based on the scores and observations, the test chemical can be considered to be not irritating to eyes.
Based on the available data for the structurally similar read across substances and applying the weight of evidence approach, it can be concluded that the target chemical will also tend to behave in a similar that of the read across substances. Therefore, N,N-diethyl-3-oxobutanamide was estimated to be not irritating to eyes and it can be further classified under the category “Not Classified” as per CLP regulation.
Justification for classification or non-classification
The results of the experimental studies for the target as well its structurally similar read across substances indicate a possibility that N,N-diethyl-3-oxobutanamide can be not irritating to skin and eyes.Hence by applying the weight of evidence approach, N,N-diethyl-3-oxobutanamide can be considered to be not irritating to skin and eyes. It can be classified under the category “Not Classified” as per CLP regulation
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