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EC number: 212-855-9 | CAS number: 873-94-9
- 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
Acute Toxicity: inhalation
Administrative data
- Endpoint:
- acute toxicity: inhalation
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Justification for type of information:
- Data is from NTIS study report.
Data source
Referenceopen allclose all
- Reference Type:
- secondary source
- Title:
- Human Sensory Irritation Thresholds Five Ketones Final Report
- Author:
- National Technical Information Service
- Year:
- 1 965
- Bibliographic source:
- National Technical Information Service, OTS0206267, April 27, 1965
- Reference Type:
- secondary source
- Title:
- Acute Inhalation (LC50) & Human Sensory Irritation Studies On Cyclopentanone, Isophorone, Dihydroisophorone, Cyclohexanone, and Methyl Isobutyl Ketone
- Author:
- National Technical Information Service
- Year:
- 1 965
- Bibliographic source:
- National Technical Information Service, OTS0572861, November 8, 1965,
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: As mentioned below
- Principles of method if other than guideline:
- Sensory irritation threshold in humans was determined for the test substance 3,3,5-trimethylcyclohexanone by exposing them to human volunteers at gradually increasing concentration levels.
- GLP compliance:
- not specified
- Test type:
- other: not specified
- Limit test:
- no
Test material
- Reference substance name:
- 3,3,5-trimethylcyclohexan-1-one
- EC Number:
- 212-855-9
- EC Name:
- 3,3,5-trimethylcyclohexan-1-one
- Cas Number:
- 873-94-9
- Molecular formula:
- C9H16O
- IUPAC Name:
- 3,3,5-trimethylcyclohexan-1-one
- Test material form:
- liquid
- Details on test material:
- - Name of test material :3,3,5-trimethylcyclohexan-1-one
- IUPAC name: 3,3,5-Trimethylcyclohexanone
- Molecular formula :C9H16O
- Molecular weight :140.224
- Smiles notation :C1(C[C@@H](CC(C1)=O)C)(C)C
- InChl :1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3
- Substance type: Organic
- Physical state: liquid
Constituent 1
- Specific details on test material used for the study:
- - Name of test material :3,3,5-trimethylcyclohexan-1-one
- Molecular formula :C9H16O
- Molecular weight :140.224
- Smiles notation :C1(C[C@@H](CC(C1)=O)C)(C)C
- InChl :1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3
- Substance type: Organic
- Physical state: liquid
Test animals
- Species:
- other: Human
- Strain:
- other: Not applicable
- Sex:
- not specified
- Details on test animals or test system and environmental conditions:
- No data
Administration / exposure
- Route of administration:
- inhalation: aerosol
- Type of inhalation exposure:
- not specified
- Vehicle:
- air
- Details on inhalation exposure:
- No data
- Analytical verification of test atmosphere concentrations:
- no
- Duration of exposure:
- 7 min
- Concentrations:
- 1st exposure: 15, 20, 37, 69, and 96 ppm
2nd exposure: 12 ppm - No. of animals per sex per dose:
- 6 human volunteers
- Control animals:
- not specified
- Details on study design:
- Week No.1 consisted of exposure to several concentrations of a documented ketone similar to those being tested. Week No. 2 consisted of exposure (first exposure series) of test group to the test compound at increasing concentrations until sensory irritation thresholds were
established. Week No.4 consisted of confirmatory exposures (second exposure series) of each group of six subjects to its respective test compound, first at the concentration established as the sensory irritation threshold and then at additional concentrations, if deemed necessary. A second series of test runs two weeks later was used for Confirmatory purposes. All phases of the study were under the supervision of a physician. - Statistics:
- Complete volatilization of test substance was not assured but there was no deposition of the material coated in the aerosol chamber or face masks of the subjects. The threshold value value calculated from a plot of the number of responses versus concentration. In deriving these curves. the eye. nose or throat irritation responses were used. The odour response was not included. The maximum number of responses possible at any concentration was 18 (six subjects x three modalities). The threshold line was arbitrarily selected at six responses. 'The concentration at each ketOne corresponding to the point Where the response curve crosses the threshold line is reported as the sensory irritation threshold. Odor was detectable in all subjects at the lowest concentration studied. This data therefore represent something above the odor threshold.
Results and discussion
Effect levels
- Key result
- Sex:
- not specified
- Dose descriptor:
- other: Sensory irritation threshold
- Effect level:
- 0.12 mg/L air
- Based on:
- test mat.
- Exp. duration:
- 7 min
- Mortality:
- No
- Clinical signs:
- other: Throat, eye, and nasal irritation.
- Body weight:
- No data
- Gross pathology:
- No data
- Other findings:
- 5/6 subjects responded at the lowest level in the first test series and 6/6 at a slightly lower level in the second series.
Any other information on results incl. tables
Human Sensory: Irritation |
Odor |
||
mg/l |
ppm |
mg/l |
ppm |
0.12 |
20 |
0.07 |
12 |
*Approximate equivalent as ppm (v/v) assuming complete vaporization
Throat, eye, and nasal irritation occurred at the lowest concentration employed, 0.069 mg/liter of' air (approximately 12 ppm expressed as a vapor concentration). At concentrations of 0.212 mg/liter of' air (approximately 37 ppm expressed as a vapor concentration) and 0.548 mg/liter of' air (approximately 95 ppm expressed as a vapor concentration) during the initial session, one subject removed his face mask. This subject reported skin irritation at a concentration of 0.548 mg/liter of air. During the first session, after four exposures at increasing concentrations (0.117 mg/liter of air, 0.212 mg/liter of air, 0.393 mg/liter of air, and 0.548 mg/liter of air), the subjects were exposed to a concentration of 0.084 mg/liter of air (approximately 15 ppm expressed as a vapor concentration). Four out of the six subjects were able to detect compound odour at this level, but only one case of sensory irritation (eye) was recorded. This contrasts sharply with the results obtained two weeks later when these same six subjects were exposed to an even lower concentration, 0.069 mg/liter of air (approximately 12 ppm expressed as a vapor concentration). During this exposure, all six subjects detected odor (five out of six within five seconds), two subjects experienced eye irritation, one subject experienced throat irritation, and one subject experienced nasal irritation. This suggests that sensory adaptation occurred during the first exposure series at high concentrations and may be suggestive of local anesthesia of receptors, which is a known phenomenon caused by exposure to ketone vapors. Aside from this, no significant differences were noted in subject sensory irritation response between the first and second exposure series.
Applicant's summary and conclusion
- Interpretation of results:
- other: STOT SE-3
- Conclusions:
- Based on the findings of the study, the sensory irritation threshold of test substance 3,3,5-trimethylcyclohexanone after exposure by inhalation in human volunteers was determined to be 0.12 mg/l.
- Executive summary:
Sensory irritation threshold in humans was determined for the test substance3,3,5-trimethylcyclohexanone by exposing (air)at gradually increasing concentration levels tosix adult volunteer subjects. Air containing the chosen concentration of the test substance was diverted from a manifold through a full-face mask. Each subject was provided with a signaling device to indicate the presence (or disappearance) of odor and eye, nose or throat irritation. Exposures to each concentration were for seven minutes and four to nine concentrations of a given substance were used at each session. A second series of test runs two weeks later was used for confirmatory purposes. In these sessions two or three concentration levels of each substance were used. During the initial series of exposures to test substance, four of the six subjects were able to detect odor; but only one subject experienced sensory irritation (eye) at 15 ppm after four previous exposures to concentrations of 20, 37, 69, and 96 ppm, in that order. Yet, during the challenge series, the same six Subjects were exposed to a concentration of 12 ppm, and all detected odor (five out of six within five seconds); eye, nasal, and throat irritation were also recorded. The sensory irritation threshold of test substance 3,3,5-trimethylcyclohexanone after exposure by inhalation in human volunteers was determined to be 0.12 mg/l.
Thus, based on the above study, it can be concluded that the test substance 3,3,5-trimethylcyclohexanone causes sensory irritation in human through inhalation and hence can be classified under "Category 3" of Specific target organ toxicity-single exposure (STOT SE-3) as per CLP regulation.
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