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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
Key value for chemical safety assessment
Effects on fertility
Link to relevant study records
- Endpoint:
- two-generation reproductive toxicity
- Remarks:
- based on test type (migrated information)
- 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:
- other: Rattus norvegicus
- Strain:
- not specified
- Sex:
- male/female
- Route of administration:
- oral: unspecified
- Type of inhalation exposure (if applicable):
- not specified
- Vehicle:
- not specified
- Duration of treatment / exposure:
- 10 weeks
- Details on study schedule:
- Reproduction study in which 25 male and female rats were dosed with 5, 10 and 25 mg/kg/day of the test material for 10 weeks premating for 2 generations.
- Remarks:
- Doses / Concentrations:
5, 10 and 25 mg/kg/day
Basis:
no data - No. of animals per sex per dose:
- 25 male and female rats
- Control animals:
- not specified
- Remarks on result:
- not measured/tested
- Critical effects observed:
- not specified
- Dose descriptor:
- LOEL
- Generation:
- F2
- Effect level:
- 129.019 mg/kg bw/day
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
- Critical effects observed:
- not specified
- Reproductive effects observed:
- not specified
- Conclusions:
- Toxicity to reproduction to male and female Rattus norvegicus by the oral route by 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one gave an estimated LOEL as 129.0195 mg/kg bw/day from QSAR in two generation prediction. This value suggests that this chemical is unlikely to exhibit reproductive toxicity to Rattus norvegicus
- Executive summary:
Toxicity to reproduction to male and female Rattus norvegicus by the oral route by 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one gave an estimated LOEL as 129.0195 mg/kg bw/day from QSAR in two generation prediction. This value suggests that this chemical is unlikely to exhibit reproductive toxicity to Rattus norvegicus
Reference
The
prediction was based on dataset comprised from the following
descriptors: 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=60%,
Dice(Atom pairs)
Domain
logical expression index: "c"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 3.37
Domain
logical expression index: "d"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.84
Effect on fertility: via oral route
- Endpoint conclusion:
- no adverse effect observed
- 129.019 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
Additional information
Toxicity to reproduction to male and female Rattus norvegicus by the oral route by 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one gave an estimated LOEL as 129.0195 mg/kg bw/day from QSAR in two generation prediction. This value suggests that this chemical is unlikely to exhibit reproductive toxicity to Rattus norvegicus
Short description of key information:
Toxicity to reproduction to male and female Rattus norvegicus by the oral route by 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one gave an estimated LOEL as 129.0195 mg/kg bw/day from QSAR in two generation prediction. This value suggests that this chemical is unlikely to exhibit reproductive toxicity to Rattus norvegicus
Justification for selection of Effect on fertility via oral route:
This study was selected since it predicted a two generational reprotoxic study over a period of 10 weeks using 25 Rats of both the sexes nd over a concentration range of 5, 10 and 25 mg/kg/day. Thus the prediction can be considered to be reliable.
Effects on developmental toxicity
Description of key information
In the prediction of Developmental Toxicity(Fetotoxicity) using QSAR,the low observed effect level (LOEL) for 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one was estimated to be 232.1587 mg/kg bw/day. This value is suggestive of the chemical not exhibiting developmental toxicity/teratogenecity.
Link to relevant study records
- Endpoint:
- developmental toxicity
- 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:
- other: Oryctolagus cuniculus
- Strain:
- not specified
- Route of administration:
- oral: unspecified
- Type of inhalation exposure (if applicable):
- not specified
- Vehicle:
- not specified
- Frequency of treatment:
- On Gestation Day 6-15
- Duration of test:
- 10 days
- Remarks:
- Doses / Concentrations:
5, 10 and 25 mg/kg/day
Basis:
no data - No. of animals per sex per dose:
- 25 female rats
- Control animals:
- not specified
- Details on study design:
- Developmental Study in which 25 female rats were dosed with 5, 10 and 25 mg/kg/day of the test material on GD 6-15, 10 days
- Remarks on result:
- not measured/tested
- Abnormalities:
- not specified
- Dose descriptor:
- LOEL
- Effect level:
- 232.159 mg/kg bw/day
- Based on:
- test mat.
- Sex:
- not specified
- Basis for effect level:
- other: fetotoxicity
- Remarks on result:
- other: not specified
- Abnormalities:
- not specified
- Developmental effects observed:
- not specified
- Conclusions:
- In the prediction of Developmental Toxicity(Fetotoxicity) using QSAR,the low observed effect level (LOEL) for 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one was estimated to be 232.1587 mg/kg bw/day. This value is suggestive of the chemical not exhibiting developmental toxicity/teratogenecity.
- Executive summary:
In the prediction of Developmental Toxicity(Fetotoxicity) using QSAR,the low observed effect level (LOEL) for 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one was estimated to be 232.1587 mg/kg bw/day. This value is suggestive of the chemical not exhibiting developmental toxicity/teratogenecity.
Reference
The
prediction was based on dataset comprised from the following
descriptors: 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=60%,
Dice(Atom pairs)
Domain
logical expression index: "c"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 3.37
Domain
logical expression index: "d"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.84
Effect on developmental toxicity: via oral route
- Endpoint conclusion:
- no adverse effect observed
- 232.159 mg/kg bw/day
- Study duration:
- subacute
- Species:
- rabbit
- Quality of whole database:
- The data isa category 2 data as the same has been predicted by SSS using the recommendated QSAR tool
Additional information
In the prediction of Developmental Toxicity(Fetotoxicity) using QSAR,the low observed effect level (LOEL) for 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one was estimated to be 232.1587 mg/kg bw/day. This value is suggestive of the chemical not exhibiting developmental toxicity/teratogenecity.
Justification for selection of Effect on developmental toxicity: via oral route:
This study was selected since it predicted developmental toxicity in which 25 female rats were dosed with 5, 10 and 25 mg/kg/day of the test material on GD 6-15 for a period of 10 days. Thus the prediction can be considered to be reliable.
Justification for classification or non-classification
Additional information
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.