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EC number: 238-969-9 | CAS number: 14901-07-6
- 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
Key value for chemical safety assessment
Repeated dose toxicity: via oral route - systemic effects
Link to relevant study records
- Endpoint:
- sub-chronic toxicity: oral
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 2.3
- GLP compliance:
- no
- Species:
- rat
- Strain:
- Sprague-Dawley
- Sex:
- male
- Route of administration:
- oral: feed
- Vehicle:
- not specified
- Analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- 40 days
- Remarks:
- Doses / Concentrations:
0.00, 436.00, 526.00, 663.00, 713.00, 774.00, 874.00
Basis:
nominal in diet - Control animals:
- not specified
- Dose descriptor:
- LOEL
- Effect level:
- 387.683 other: mg/kg body wt/day
- Based on:
- test mat.
- Sex:
- male
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
- Critical effects observed:
- not specified
- Conclusions:
- The low observed effect level (LOEL) value observed was 387.6834 mg/kg/day in Sprague-Dawley strain of Rat by oral feed exposure in a repeated dose toxicity study (40 days) conducted with 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one on the basis of effect observed on body weight decrease. This is a high value and therefore it is concluded that this chemical will not exhibit repeated dose toxicity to rat by the oral route.
- Executive summary:
The low observed effect level (LOEL) value observed was 387.6834 mg/kg/day in Sprague-Dawley strain of Rat by oral feed exposure in a repeated dose toxicity study (40 days) conducted with 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one on the basis of effect observed on body weight decrease. This is a high value and therefore it is concluded that this chemical will not exhibit repeated dose toxicity to rat by the oral route.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "effect LOEL"
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(("a"
and "b" )
and ("c"
and "d" )
)
Domain
logical expression index: "a"
Similarity
boundary:Target:
C1(C)(C)C(C=CC(C)=O)=C(C)CCC1
Threshold=50%,
Dice(Atom pairs)
Domain
logical expression index: "b"
Similarity
boundary:Target:
C1(C)(C)C(C=CC(C)=O)=C(C)CCC1
Threshold=80%,
Dice(Atom pairs)
Domain
logical expression index: "c"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 3.39
Domain
logical expression index: "d"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 5.03
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- 387.683 mg/kg bw/day
- Study duration:
- subchronic
- Species:
- rat
- Quality of whole database:
- The data isa category 2 data as the same has been predicted by SSS using the recommendated QSAR tool
Repeated dose toxicity: inhalation - systemic effects
Link to relevant study records
- Endpoint:
- short-term repeated dose toxicity: inhalation
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- according to guideline
- Guideline:
- other:
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 2.3
- GLP compliance:
- no
- Species:
- rat
- Strain:
- Wistar
- Sex:
- male
- Route of administration:
- inhalation
- Type of inhalation exposure:
- not specified
- Vehicle:
- other: unchanged (no vehicle)
- Analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- 6 hrs.
- Remarks:
- Doses / Concentrations:
0, 1.36, 2.71, and 5.42 mmol/cubic meter.
Basis:
no data - No. of animals per sex per dose:
- 4 animals
- Control animals:
- other: Yes, exposed to uncontaminated air.
- Dose descriptor:
- LOEL
- Effect level:
- 124.284 other: mg/kg/day
- Based on:
- test mat.
- Sex:
- male
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
- Critical effects observed:
- not specified
- Conclusions:
- The LOEL value observed was 124.2844 mg/kg bw/day in male Wistar rat by inhalation exposure in a repeated dose sub-acute toxicity study conducted with 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one based upon decrease in body weight. This is a high value and therefore it is concluded that this chemical will not exhibit repeated dose toxicity to Wistar rat by the inhalation route.
- Executive summary:
The LOEL value observed was 124.2844 mg/kg bw/day in male Wistar rat by inhalation exposure in a repeated dose sub-acute toxicity study conducted with 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one based upon decrease in body weight. This is a high value and therefore it is concluded that this chemical will not exhibit repeated dose toxicity to Wistar rat by the inhalation route.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "effect LOEL"
Estimation method: Taking average value from the 3 nearest neighbours
Domain logical expression:Result: In Domain
(("a"
and "b" )
and ("c"
and "d" )
)
Domain
logical expression index: "a"
Similarity
boundary:Target:
C1(C)(C)C(C=CC(C)=O)=C(C)CCC1
Threshold=50%,
Dice(Atom pairs)
Domain
logical expression index: "b"
Similarity
boundary:Target:
C1(C)(C)C(C=CC(C)=O)=C(C)CCC1
Threshold=60%,
Dice(Atom pairs)
Domain
logical expression index: "c"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 4.09
Domain
logical expression index: "d"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.47
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- 124.284
- Study duration:
- subacute
- Species:
- rat
- Quality of whole database:
- The data isa category 2 data as the same has been predicted by SSS using the recommendated QSAR tool
Repeated dose toxicity: dermal - systemic effects
Link to relevant study records
- Endpoint:
- repeated dose toxicity: dermal
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- other:
- Critical effects observed:
- not specified
Reference
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Repeated dose toxicity oral:-
The LOEL value observed was 387.6834 mg/kg/day in Sprague-Dawley strain of Rat by oral feed exposure in a repeated dose toxicity study conducted with 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one on the basis of effect observed on body weight decrease.
Repeated dose toxicity inhalation:-
The LOEL value observed was 124.2844 mg/kg bw/day in male Wistar rat by inhalation exposure in a repeated dose sub-acute toxicity study conducted with 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one based upon decrease in body weight.
Justification for selection of repeated dose toxicity via oral route - systemic effects endpoint:
The low observed effect level (LOEL) value observed was 387.6834 mg/kg/day in Sprague-Dawley strain of Rat by oral feed exposure in a repeated dose toxicity study (40 days) conducted with 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one on the basis of effect observed on body weight decrease. This is a high value and therefore it is concluded that this chemical will not exhibit repeated dose toxicity to rat by the oral route.
Justification for selection of repeated dose toxicity inhalation - systemic effects endpoint:
The LOEL value observed was 124.2844 mg/kg bw/day in male Wistar rat by inhalation exposure in a repeated dose sub-acute toxicity study conducted with 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one based upon decrease in body weight. This is a high value and therefore it is concluded that this chemical will not exhibit repeated dose toxicity to Wistar rat by the inhalation route.
Justification for selection of repeated dose toxicity dermal - systemic effects endpoint:
In accordance with column 1 of Annex IX, this end point was considered for waiver since the information for acute toxicity by the dermal route has already been provided in the earlier section of 7.2.3
Justification for classification or non-classification
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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