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EC number: 423-740-1 | CAS number: 10461-98-0
- 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
Endpoint summary
Administrative data
Description of key information
Based on the available study data the test substance 2-cyclohexylidene-2-phenylacetonitrile was non hazardous in repeated exposure by oral,dermal and inhalation route.
Key value for chemical safety assessment
Repeated dose toxicity: via oral route - systemic effects
Link to relevant study records
- Endpoint:
- short-term repeated dose toxicity: oral
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Data is from test report
- Qualifier:
- according to guideline
- Guideline:
- other: 92/69/EEC
- GLP compliance:
- yes
- Limit test:
- no
- Species:
- rat
- Strain:
- other: (Crl:CD (SD) BR strain (VAF plus))
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- No data
- Route of administration:
- oral: gavage
- Vehicle:
- maize oil
- Analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- Test duration: 28 days
- Frequency of treatment:
- Dosing regime: 7 days/week
- Remarks:
- Doses / Concentrations:0,10,45,200 mg/kg bw/dayBasis:no data
- No. of animals per sex per dose:
- Male: 12 animals at 0 mg/kg bw/dayMale: 6 animals at 10 mg/kg bw/dayMale: 6 animals at 45 mg/kg bw/dayMale: 12 animals at 200 mg/kg bw/dayFemale: 12 animals at 0 mg/kg bw/dayFemale: 6 animals at 10 mg/kg bw/dayFemale: 6 animals at 45 mg/kg bw/dayFemale: 12 animals at 200 mg/kg bw/day
- Control animals:
- not specified
- Observations and examinations performed and frequency:
- CAGE SIDE OBSERVATIONS: YesDETAILED CLINICAL OBSERVATIONS: YesBODY WEIGHT: Yes FOOD CONSUMPTION AND COMPOUND INTAKE (if feeding study):No dataFOOD EFFICIENCY:No dataWATER CONSUMPTION AND COMPOUND INTAKE (if drinking water study):No dataOPHTHALMOSCOPIC EXAMINATION: No dataHAEMATOLOGY: Yes CLINICAL CHEMISTRY: YesURINALYSIS: Yes NEUROBEHAVIOURAL EXAMINATION: No data
- Sacrifice and pathology:
- No data
- Other examinations:
- No data
- Statistics:
- No data
- Clinical signs:
- no effects observed
- Mortality:
- no mortality observed
- Body weight and weight changes:
- not specified
- Food consumption and compound intake (if feeding study):
- not specified
- Food efficiency:
- not specified
- Water consumption and compound intake (if drinking water study):
- not specified
- Ophthalmological findings:
- not specified
- Haematological findings:
- no effects observed
- Clinical biochemistry findings:
- no effects observed
- Urinalysis findings:
- no effects observed
- Behaviour (functional findings):
- not specified
- Organ weight findings including organ / body weight ratios:
- no effects observed
- Gross pathological findings:
- not specified
- Histopathological findings: non-neoplastic:
- no effects observed
- Histopathological findings: neoplastic:
- no effects observed
- Details on results:
- Clinical observations:One male and one female from the top dose group died on day 9 and 7 respectively. Cause of death could not be identified. All top dose animals and occasionally mid dose animals showed post-dosing salivation. An increase in the incidence of hairloss and yellow/brown fur staining was observed in top dose animals, particularly females.Bodyweight gain was reduced in top dose animals and mid dose males such that at the end of treatment, top dose males weighed 92% of controls, top dose females 88% of controls and mid dose males 88% of controls. Bodyweight gains recovered once treatment stoppped. Other signs of toxicity continued until the end of the recovery period.Laboratory findings:Haematology: there were no treatment-related effects.Blood chemistry: alanine aminotransferase was moderately increased in females dosed at 200 mg/kg/day to 147% of controls. Aspartate aminotransferase was slightly increased in both sexes dosed at 200 mg/kg/day (148% of controls in males and 112% of controls in females). Triglycerides wereslightly decreased in both sexes dosed at 200 mg/kg/day (to around 70-73% of controls for both sexes). Triglyceride levels remained decreased in females dosed at 200 mg/kg/day (to 58% of controls) at the end of the treatment-free period.Urinalysis: no treatment-related findings were observed.Effects in organs:Organ weights: the relative liver weight was slightly increased in both sexes (to around 116% of control) dosed at 200 mg/kg/day. This finding was not apparent at the end of the treatment-free period.No treatment-related findings were observed at necropsy macroscopically or histopathologically in decedents or animals surviving until their scheduled sacrifice.
- Dose descriptor:
- NOAEL
- Effect level:
- 45 mg/kg bw/day (nominal)
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: original NCD unit is mg/kg/day
- Dose descriptor:
- NOEL
- Effect level:
- 10 mg/kg bw/day (nominal)
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: original NCD unit is mg/kg/day
- Critical effects observed:
- not specified
- Conclusions:
- In subacute repeated oral dose toxicity conducted for 28 days at dose concentration 0,10,45,200 mg/kg bw/day on male and female Rat (Crl:CD (SD) BR strain (VAF plus)) showed NOAEL at 45 mg/kg bw/day (nominal) and NOEL 10 mg/kg bw/day (nominal).
- Executive summary:
In subacute repeated oral dose toxicity conducted for 28 days at dose concentration 0,10,45,200 mg/kg bw/day on male and female Rat (Crl:CD (SD) BR strain (VAF plus)) showed following effects:
Clinical observations:
One male and one female from the top dose group died on day 9 and 7 respectively. Cause of death could not be identified. All top dose animals and occasionally mid dose animals showed post-dosing salivation. An increase in the incidence of hairloss and yellow/brown fur staining was observed in top dose animals, particularly females.
Bodyweight gain was reduced in top dose animals and mid dose males such that at the end of treatment, top dose males weighed 92% of controls, top dose females 88% of controls and mid dose males 88% of controls. Bodyweight gains recovered once treatment stoppped. Other signs of toxicity continued until the end of the recovery period.
Laboratory findings:
Haematology: there were no treatment-related effects.
Blood chemistry: alanine aminotransferase was moderately increased in females dosed at 200 mg/kg/day to 147% of controls. Aspartate aminotransferase was slightly increased in both sexes dosed at 200 mg/kg/day (148% of controls in males and 112% of controls in females). Triglycerides were
slightly decreased in both sexes dosed at 200 mg/kg/day (to around 70-73% of controls for both sexes). Triglyceride levels remained decreased in females dosed at 200 mg/kg/day (to 58% of controls) at the end of the treatment-free period.
Urinalysis: no treatment-related findings were observed.
Effects in organs:
Organ weights: the relative liver weight was slightly increased in both sexes (to around 116% of control) dosed at 200 mg/kg/day. This finding was not apparent at the end of the treatment-free period.
No treatment-related findings were observed at necropsy macroscopically or histopathologically in decedents or animals surviving until their scheduled sacrifice.
Thus NOAEL was considered to be at 45 mg/kg bw/day (nominal) and NOEL 10 mg/kg bw/day (nominal).
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 45 mg/kg bw/day
- Study duration:
- subacute
- Species:
- rat
- Quality of whole database:
- Data is K2 level from study report to which permission to refer granted by ECHA
Repeated dose toxicity: inhalation - systemic effects
Link to relevant study records
- Endpoint:
- repeated dose toxicity: inhalation
- Data waiving:
- exposure considerations
- Justification for data waiving:
- other:
- Critical effects observed:
- not specified
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
Repeated dose toxicity: inhalation - local effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: dermal - systemic effects
Link to relevant study records
- Endpoint:
- short-term repeated dose toxicity: dermal
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Data is from QSAR Toolbox version 3.3
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 410 (Repeated Dose Dermal Toxicity: 21/28-Day Study)
- Principles of method if other than guideline:
- Method: other: API procedure
- GLP compliance:
- not specified
- Limit test:
- no
- Species:
- rabbit
- Strain:
- New Zealand White
- Sex:
- male/female
- Type of coverage:
- occlusive
- Vehicle:
- not specified
- Analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- 28 days
- Frequency of treatment:
- 3 times per week
- Remarks:
- Doses / Concentrations:200, 1000 and 2000 mg/kg/dayBasis:no data
- No. of animals per sex per dose:
- no data
- Control animals:
- yes
- Clinical signs:
- no effects observed
- Dermal irritation:
- not specified
- Mortality:
- no mortality observed
- Body weight and weight changes:
- no effects observed
- Food consumption and compound intake (if feeding study):
- not specified
- Food efficiency:
- not specified
- Water consumption and compound intake (if drinking water study):
- not specified
- Ophthalmological findings:
- not specified
- Haematological findings:
- not specified
- Clinical biochemistry findings:
- not specified
- Urinalysis findings:
- not specified
- Behaviour (functional findings):
- not specified
- Organ weight findings including organ / body weight ratios:
- no effects observed
- Gross pathological findings:
- not specified
- Histopathological findings: non-neoplastic:
- not specified
- Histopathological findings: neoplastic:
- not specified
- Dose descriptor:
- NOAEL
- Effect level:
- 1 234.375 mg/kg bw/day
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: clinical chemistry and Organ weights and organ/body weight
- Critical effects observed:
- not specified
- Conclusions:
- Based on the QSAR Toolbox version 3.3 prediction the No Observed Adverse Effect Level of test substance 2-cyclohexylidene-2-phenylacetonitrile by dermal exposure was estimated to be 1234.375 mg/kg bw/day based on the clinical chemistry and Organ weights and organ/body weight effects.
- Executive summary:
Based on the QSAR Toolbox version 3.3 prediction the No Observed Adverse Effect Level of test substance 2-cyclohexylidene-2-phenylacetonitrile by dermal exposure was estimated to be 1234.375 mg/kg bw/day based on the clinical chemistry and Organ weights and organ/body weight effects.
Reference
The prediction was based on dataset comprised from the following descriptors: NOAEL
Estimation method: Takes average value from the 7 nearest neighbours
Domain logical expression:Result: In Domain
(((("a" or "b" or "c" or "d" ) and "e" ) and "f" ) and ("g" and "h" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Alkene AND Allyl AND Cycloalkane AND Nitrile by Organic Functional groups
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as Allyl AND Cycloalkane AND Nitrile AND Overlapping groups by Organic Functional groups (nested)
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Acetylenic Carbon [#C] AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Olefinic carbon [=CH- or =C<] AND Tertiary Carbon by Organic functional groups (US EPA)
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as No functional group found by Organic functional groups, Norbert Haider (checkmol)
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as Moderate by Bioaccumulation - metabolism half-lives ONLY
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as Not bioavailable by Lipinski Rule Oasis ONLY
Domain logical expression index: "g"
Parametric boundary:The target chemical should have a value of log Kow which is >= 5.11
Domain logical expression index: "h"
Parametric boundary:The target chemical should have a value of log Kow which is <= 6.73
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 1 234.375 mg/kg bw/day
- Study duration:
- subacute
- Species:
- rabbit
- Quality of whole database:
- Data is K2 level from QSAR Toolbox version 3.3
Repeated dose toxicity: dermal - local effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Repeated dose toxicity: oral:
In subacute repeated oral dose toxicity conducted for 28 days at dose concentration 0,10,45,200 mg/kg bw/day on male and female Rat (Crl:CD (SD) BR strain (VAF plus)) showed following effects:
Clinical observations:
One male and one female from the top dose group died on day 9 and 7 respectively. Cause of death could not be identified. All top dose animals and occasionally mid dose animals showed post-dosing salivation. An increase in the incidence of hairloss and yellow/brown fur staining was observed in top dose animals, particularly females.
Bodyweight gain was reduced in top dose animals and mid dose males such that at the end of treatment, top dose males weighed 92% of controls, top dose females 88% of controls and mid dose males 88% of controls. Bodyweight gains recovered once treatment stoppped. Other signs of toxicity continued until the end of the recovery period.
Laboratory findings:
Haematology: there were no treatment-related effects.
Blood chemistry: alanine aminotransferase was moderately increased in females dosed at 200 mg/kg/day to 147% of controls. Aspartate aminotransferase was slightly increased in both sexes dosed at 200 mg/kg/day (148% of controls in males and 112% of controls in females). Triglycerides were
slightly decreased in both sexes dosed at 200 mg/kg/day (to around 70-73% of controls for both sexes). Triglyceride levels remained decreased in females dosed at 200 mg/kg/day (to 58% of controls) at the end of the treatment-free period.
Urinalysis: no treatment-related findings were observed.
Effects in organs:
Organ weights: the relative liver weight was slightly increased in both sexes (to around 116% of control) dosed at 200 mg/kg/day. This finding was not apparent at the end of the treatment-free period.
No treatment-related findings were observed at necropsy macroscopically or histopathologically in decedents or animals surviving until their scheduled sacrifice.
Thus NOAEL was considered to be at 45 mg/kg bw/day (nominal) and NOEL 10 mg/kg bw/day (nominal).
Repeated dose toxicity: inhalation:
The chemical 2-cyclohexylidene-2-phenylacetonitrile has a low vapour pressure and thus repeated exposure by the inhalation route is highly unlikely. Thus, the chemical is not likely to have repeated dose toxicity effects via the inhalation route.
Repeated dose toxicity: dermal:
Based on the QSAR Toolbox version 3.3 prediction the No Observed Adverse Effect Level of test substance 2-cyclohexylidene-2-phenylacetonitrile by dermal exposure was estimated to be 1234.375 mg/kg bw/day based on the clinical chemistry and Organ weights and organ/body weight effects.
Justification for selection of repeated dose toxicity via oral route - systemic effects endpoint:
In subacute repeated oral dose toxicity conducted for 28 days at dose concentration 0,10,45,200 mg/kg bw/day on male and female Rat (Crl:CD (SD) BR strain (VAF plus)) showed NOAEL at 45 mg/kg bw/day (nominal) and NOEL 10 mg/kg bw/day (nominal).
This NOAEL value indicate that the test substance 2-cyclohexylidene-2-phenylacetonitrile is not classified as per CLP criteria.
Justification for selection of repeated dose toxicity inhalation - systemic effects endpoint:
The chemical 2-cyclohexylidene-2-phenylacetonitrile has a low vapour pressure and thus repeated exposure by the inhalation route is highly unlikely. Thus, the chemical is not likely to have repeated dose toxicity effects via the inhalation route.
Justification for selection of repeated dose toxicity dermal - systemic effects endpoint:
Based on the QSAR Toolbox version 3.3 prediction the No Observed Adverse Effect Level of test substance 2-cyclohexylidene-2-phenylacetonitrile by dermal exposure was estimated to be 1234.375 mg/kg bw/day based on the clinical chemistry and Organ weights and organ/body weight effects.
Justification for classification or non-classification
On the basis of NOAEL'S value available, the substance 2-cyclohexylidene-2-phenylacetonitrile non toxic by oral,inhalation and dermal route.Thus not consider for the further classification as per CLP criteria.
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