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EC number: 204-820-1 | CAS number: 127-06-0
- 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
Repeated dose toxicity: oral
Administrative data
- Endpoint:
- short-term repeated dose toxicity: oral
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The analogue methyl isobutyl ketoxime, which shares the same functional groups with acetone oxime, also has comparable values for the relevant molecular properties and they are toxicologically equivalent.
Cross-reference
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- other: Read-across
- Title:
- Unnamed
- Year:
- 2 012
Materials and methods
- Principles of method if other than guideline:
- Read-across approach from experimental results (test method according to OECD Guideline 408, GLP study) on the analogue substance MIBKO
- GLP compliance:
- no
Test material
- Reference substance name:
- 4-methylpentan-2-one oxime
- EC Number:
- 203-298-2
- EC Name:
- 4-methylpentan-2-one oxime
- Cas Number:
- 105-44-2
- IUPAC Name:
- 4-methylpentan-2-one oxime
- Details on test material:
- - Name of test material (as cited in study report): Methyl isobutil ketoxime (MIBKO)
- Molecular formula (if other than submission substance): C6H13NO
- Molecular weight (if other than submission substance): 115.1735
- Smiles notation (if other than submission substance): CC(C)CC(\C)=N\O
- InChl (if other than submission substance): 1/C6H13NO/c1-5(2)4-6(3)7-8/h5,8H,4H2,1-3H3/b7-6+
- Structural formula attached as image file (if other than submission substance): see Fig.
Constituent 1
Results and discussion
Results of examinations
- Clinical signs:
- no effects observed
- Mortality:
- no mortality observed
- Body weight and weight changes:
- no effects observed
- Food consumption and compound intake (if feeding study):
- no effects observed
- Food efficiency:
- no effects observed
- Water consumption and compound intake (if drinking water study):
- no effects observed
- Ophthalmological findings:
- no effects observed
- Haematological findings:
- effects observed, treatment-related
- Clinical biochemistry findings:
- effects observed, treatment-related
- Urinalysis findings:
- no effects observed
- Behaviour (functional findings):
- no effects observed
- Organ weight findings including organ / body weight ratios:
- effects observed, treatment-related
- Gross pathological findings:
- no effects observed
- Histopathological findings: non-neoplastic:
- effects observed, treatment-related
- Histopathological findings: neoplastic:
- not specified
- Details on results:
- Based on the experimental results obtained in the analogue substance MIBKO, where the NOAEL for 90 days oral exposure in male and female rats was determined to be 15 mg/kg bw/day based on the effects on red blood cells, resulting in associated changes in the spleen), the read-across approach was applied and the NOAEL (90 days, oral) for acetone oxime in rats was estimated to be 9.52 mg/kg bw/day in rats.
Effect levels
- Dose descriptor:
- NOEL
- Effect level:
- 9.52 mg/kg bw/day (nominal)
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: (Read-across approach from an analogue substance) (Basis for effect: effects on red blood cells, resulting in associated changes in the spleen)
Target system / organ toxicity
- Critical effects observed:
- not specified
Any other information on results incl. tables
As indicated in the European Chemical Agency Practical Guide 6 “How to report read –across and categories”, the structural grouping was realized using “OECD QSAR APPLICATION TOOL BOX” version 2.1.2. Presented results show that both substances have common (eco)toxicological behavior (attachment).
Table 1: Data Matrix, Analogue Approach:
CAS Number
|
Source chemical 105-44-1 |
Target chemical 127-06-0 |
||
CHEMICAL NAME |
MIBKO Methyl isobutyl ketoxime |
Acetone oxime |
||
PHYSICO-CHEMICAL DATA |
||||
Melting/Freezing point |
Calculated data: Melting point: -45.56 ºC (EPI-Suite, MPBWIN v1.43). |
Measured data (Handbook): 60 ºC |
||
Boiling Point |
Calculated data: 186.67ºC (EPI-Suite, MPBWIN v1.43). |
Measured data (Handbook): 134.8 ºC |
||
Relative density |
Company data (density): 0.88 g/mL |
Measured data (Handbook): 0.9113 at 62 ºC |
||
Vapour Pressure |
Calculated data (EPI-Suite, US EPA v4.1): 21.8 Pa at 25 ºC |
Calculated data (EPI-Suite, US EPA v4.1): 164 Pa at 25 ºC |
||
Partition Coefficient (log Kow) |
Measured data: 1.53 (OECD 107, GLP) |
Measured data (Jaros F et al., 2007): 0.20 Calculated data (EPI-Suite, US EPA v4.1): 1.2 |
||
Water solubility
|
Calculated data: 626.3 mg/L at 25 ºC (EPI-Suite, WSKO v1.42). |
Measured data (Rosene MR et al., 1976): 334 g/L |
||
ENVIRONMENTAL FATE and PATHWAY |
||||
Aerobic Biodegradation |
Experimental data: Inherently biodegradable. OECD 302B, GLP Calculated data (EPI-Suite, US EPA v4.1): Not readily biodegradable |
Experimental data: Not readily biodegradable OECD 301D, GLP study Calculated data (EPI-Suite, US EPA v4.1): Not readily biodegradable |
||
ENVIRONMENTAL TOXICITY |
||||
Acute Toxicity to Fish |
No data. |
Experimental data: LC50 (96 h) = 558 mg/L (Pimephales promelas) (basis for effect: mortality) (Geiger et al. 1990; Method similar to OECD 203). |
||
Acute Toxicity to Aquatic Invertebrates |
Experimental data: EC50 (48h) > 93 mg/L (Daphnia magna) (basis for effect: mobility) (OECD 202, GLP study) |
Experimental data: EC50 (48h) = 544.34 mg/L (Daphnia magna) (basis for effect: mobility) (OECD 202, GLP study) |
||
Toxicity to Aquatic Plants |
No data. |
Experimental data: EC50 (72h) = 252.92 mg/L NOEC (72h) = 50 mg/L (Pseudokirchneriella subpicata) (Basis for effect: growth rate) (OECD 201, GLP study) |
||
MAMMALIAN TOXICITY |
||||
Acute Toxicity: Oral |
Experimental data: LD50 > 1.5 ml/kg bw (> 1320 mg/kg bw, rabbits, male/female) (Equivalent to OECD 401, GLP study) |
Read-across from EAC3: LD50 > 2005.13 mg/kg bw (rat, female) (OECD 423, GLP study). Supporting data (Sax’s Handbook): LD0 > 500 mg/kg bw (rats). |
||
Acute Toxicity: Inhalation |
No data. |
No data. |
||
Acute Toxicity: Dermal |
Experimental data: LD50 > 3 ml/kg bw (> 2640 mg/kg bw, rabbits, male/female) (Equivalent to OECD 402, GLP study) |
Experimental data: LD50 > 2000 mg/kg bw/day (rat, male/female) (OECD 402, GLP study) |
||
Skin irritation |
Experimental data: PDI = 3.6 (rabbits). According to CLP scoring system: Non-irritant (rabbits). (PDI, GLP study) |
Experimental data: According to CLP scoring system: Non-irritant (rabbits) (PDI, equivalent to OECD 404, GLP study) |
||
Eye irritation |
Experimental data: According to CLP scoring system: Irritant, Category 2 (rabbits) (Acute eye irritation, GLP study) |
Experimental data: According to CLP scoring system: Eye damage, Category 1 (rabbits) (Acute eye irritation, equivalent to OECD 405, GLP study) |
||
Skin Sensitization |
Experimental data: Non skin sensitizer (guinea pig, female) (GPMT, Equivalent to OECD 406, GLP study) |
Experimental data: Not skin sensitizer (mice, female) (Local Lymph Node Assay, OECD 429, GLP study). |
||
Repeated Dose Toxicity |
Experimental data: 90day-NOAEL = 15 mg/kg bw/day (rats, male/female) (effects on red blood cells, resulting in associated changes in the spleen) (OECD 408, GLP study) |
Read-across from Wasox-VMAC2: 28day-NOEL = 12.82 mg/kg bw/day (rats, male/female) (basis for effect: damage to peripheral erythrocytes without an impairment of the blood cell production in the bone marrow). (OECD 407, GLP study) Read-across from Wasox-MMAC2: 28day-NOEL = 13.26 mg/kg bw/day (rats, male/female) (basis for effect: damages to mature erythrocytes in the peripheral blood, with a parallel marked increase production of your erythrocytes by the presence of hematopoiesis in the spleen). (OECD 407, GLP study) Read-across from MIBKO: 90day-NOAEL = 9.52 mg/kg bw/day (rats, male/female) (effects on red blood cells, resulting in associated changes in the spleen) (OECD 408, GLP study) |
||
Genetic Toxicity in vitro |
Gene mutation in bacteria |
Experimental data: Negative with and without metabolic activation inSalmonella typhimuriumTA98, TA100, TA1535, TA1537, TA1538. (Equivalent to OECD 471, GLP study) |
Experimental data: Negative with and without metabolic activation inSalmonella typhimuriumTA100, TA 97, TA 1535, and TA 98. (Equivalent to OECD 471, GLP study).
Supporting study: Negative with and without metabolic activation inSalmonella typhimuriumTA98, TA100, TA2637 andE. coliWP2 uvrA/pKM101. (Similar to OECD 471, Araki A et al., 1986) |
|
|
Chromosomal aberration |
No data |
Read-across from Wasox-VMAC2: Positive without metabolic activation with 20h treatment; negative with and without metabolic activation with 3 h treatment, in human lymphocytes. (OECD 473, GLP study) Read-across from Wasox-MMAC2: Negative with and without metabolic activation in human lymphocytes. (OECD 473, GLP study) |
|
Mammalian gene mutation |
Experimental data: Negative without metabolic activation and equivocal with metabolic activation at the TK +/- locus in L5178Y cells. (Equivalent to 476, GLP study) |
Experimental data: Negative with and without metabolic activation at the TK +/- locus in L5178Y cells. (OECD 476, GLP study).
Supporting studies: Not genotoxic in V79 chinese hamster cells as mutations to 6 -thioguanine (TG). (Similar to OECD 479, Haas-Jobelius M et al., 1991) Acetone oxime did not induce DNA repair synthesis (indicator of genotoxic) in rat hepatocytes (Haas-Jobelius et al. 1991), V79 cells (Haas-Jobelius et al. 1991; Andrae et al. 1999 and Kreis et al. 2000) and OSV cells (Kreis et al. 1998). (Similar to OECD 482). |
||
Genetic Toxicity in vivo |
No data. |
Read-across from Wasox-VMAC2: Negative, the test substance did not produce relevant increases of the numbers of micronuclei in polychromatic erythrocytes. (Mammalian Erythrocyte Micronucleus Test, OECD Guideline 474, GLP Study). |
||
Reproductive Toxicity |
Toxicity to reproduction |
Experimental study: NOAEL (parental toxicity) = 30 mg/kg bw/day (male/female, rats) (based on histological effects on the spleen) NOAEL (P, reproductive toxicity) > 100 mg/kg bw/day (male/female, rats) (no effects observed at highest dose) NOAEL (F1 toxicity toxicity) > 100 mg/kg bw/day (male/female, rats) (no effects observed at highest dose) NOAEL (F1, developmental and sexual maturation) > 100 mg/kg bw/day (male/female, rats) (no effects observed at highest dose) (OECD 415, GLP).
Supporting study: In the 90d RDT study, no effects were observed in the reproductive organs or tissues up to the highest dose tested. |
Read-across from MIBKO: NOAEL (parental toxicity) = 19.04 mg/kg bw/day (male/female, rats) (based on histological effects on the spleen) NOAEL (P, reproductive toxicity) > 63.47 mg/kg bw/day (male/female, rats) (no effects observed at highest dose) NOAEL (F1 toxicity toxicity) > 63.47 mg/kg bw/day (male/female, rats) (no effects observed at highest dose) NOAEL (F1, developmental and sexual maturation) > 63.47 mg/kg bw/day (male/female, rats) (no effects observed at highest dose) (OECD 415, GLP).
Supporting study: Read-across from MIBKO: In the 90d RDT study, no effects were observed in the reproductive organs or tissues up to the highest dose tested. Read-across from Wasox-VMAC2: In the 28d RDT study, no effects were observed in the reproductive organs or tissues up to the highest dose tested Read-across from Wasox-MMAC2: In the 28d RDT study, no effects were observed in the reproductive organs or tissues up to the highest dose tested |
|
Developmental toxicity |
No data. |
No data. |
Applicant's summary and conclusion
- Conclusions:
- Based on the read-across approach from experimental data on analogue substance MIBKO (OECD Guideline 408, GLP study), the NOAEL of acetone oxime for 90 days oral exposure in rats was determined to be 9.52 mg/kg bw/day.
- Executive summary:
A 90 days oral repeated dose toxicity test was performed on the analogue substance MIBKO according to OECD Guideline 407 and GLP. The NOAEL was determined to be 15 mg/kg bw/day in rats based on the effects on red blood cells, resulting in associated changes in the spleen were observed at 50 mg/kg bw/day. Based on these results, the read-across was applied and the NOAEL of acetone oxime for 90 days oral exposure in rats was estimated to be 9.52 mg/kg bw/day under the test conditions (effects at an estimated concentration of 31.73 mg/kg bw/day).
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