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Registration Dossier
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EC number: 238-969-9 | CAS number: 14901-07-6
Endpoint summary
Administrative data
Description of key information
4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one was found to be non toxic by oral and inhalation route.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Qualifier:
- according to guideline
- Guideline:
- other:
- Principles of method if other than guideline:
- standard acute method
- GLP compliance:
- not specified
- Test type:
- standard acute method
- Species:
- rat
- Strain:
- not specified
- Sex:
- not specified
- Route of administration:
- oral: unspecified
- Vehicle:
- not specified
- Control animals:
- not specified
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- 4 590 mg/kg bw
- Based on:
- test mat.
- Interpretation of results:
- not classified
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The lethal dose value (LD50) causing acute oral toxicity to Rat is 4590 mg/kg. This value indicate that 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one is non toxic to Rat by oral route.
- Executive summary:
The lethal dose value (LD50) causing acute oral toxicity to Rat is 4590 mg/kg. This value indicate that 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one is non toxic to Rat by oral route.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 4 590 mg/kg bw
Acute toxicity: via inhalation route
Link to relevant study records
- Endpoint:
- acute 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: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 2.3
- GLP compliance:
- no
- Test type:
- other: Acute Rodent Inhalation Toxicity Test
- Species:
- mouse
- Strain:
- Swiss Webster
- Sex:
- male
- Route of administration:
- inhalation
- Type of inhalation exposure:
- other: Inhalation: Vapor
- Vehicle:
- other: Unchanged (No Vehicle/Air)
- Duration of exposure:
- 4 h
- Concentrations:
- 135, 200, 300, & 450 ppm
- No. of animals per sex per dose:
- 6 animals
- Control animals:
- not specified
- Sex:
- male
- Dose descriptor:
- LC50
- Effect level:
- 538.488 ppm
- Based on:
- test mat.
- Exp. duration:
- 4 h
- Interpretation of results:
- not classified
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- Inhalation toxicity (LC50) of 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one vapours was examined for 4 hrs.in male Swiss Webster mouse at a dose concentration of 538.488 ppm.This value suggest that the chemical 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one is non toxic by inhalation route.
- Executive summary:
</font> Inhalation toxicity (LC50) of 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one vapours was examined for 4 hrs.in male Swiss Webster mouse at a dose concentration of 538.488 ppm.This value suggest that the chemical 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one is non toxic by inhalation route.
Reference
The prediction was based on dataset comprised from the following descriptors: LC50
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 >= 1.61
Domain logical expression index: "d"
Parametric boundary:The target chemical should have a value of log Kow which is <= 4.45
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LC50
- Value:
- 538.488 mg/m³ air
Acute toxicity: via dermal route
Link to relevant study records
- Endpoint:
- acute toxicity: dermal
- Type of information:
- other: Conclusion of WoE summary report
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- There are various supporting studies available that depict the LD50 value to be well over the range (2000 mg/Kg body weight). Some values have also be taken from structurally similar substances which too prove that 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one shall not exhibit acute dermal toxicity.
- Qualifier:
- according to guideline
- Guideline:
- other:
- Principles of method if other than guideline:
- Weight of evidence
- GLP compliance:
- no
- Test type:
- other: acute toxicity test
- Species:
- mouse
- Strain:
- not specified
- Sex:
- not specified
- Type of coverage:
- not specified
- Vehicle:
- not specified
- No. of animals per sex per dose:
- 10 mice
- Control animals:
- not specified
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- > 2 000 - 7 000 mg/kg bw
- Based on:
- test mat.
- Interpretation of results:
- not classified
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- Based on the endpoint varies between >2000 mg/L to 7000 mg/L it can be concluded that the substance 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one (b-ionone)is not toxic by dermal route.
- Executive summary:
Five studies reviewed for acute dermal toxicity endpoints on mouse from reliable sources having Klimish rating 4
The summary if the results are presented below
Sr. No
Endpoint name
Value
Units
Remarks
1
LD 50
>2000
mg/kg
-
2
LD 50
3290
mg/kg
-
3
LD 50
5331
mg/kg
-
4
LD 50
6657
mg/kg
-
5
LD 50
7000
mg/kg
Based on the above the endpoint varies between >2000 mg/L to 7000 mg/L therefore it can be concluded that the substance 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one (b-ionone)is not toxic by dermal route.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 7 000
- Quality of whole database:
- There are various supporting studies available that depict the LD50 value to be well over the range (2000 mg/Kg body weight). Some values have also be taken from structurally similar substances which too prove that 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one shall not exhibit acute dermal toxicity.
Additional information
Acute toxicity oral:-
Details of other toxic effects(LD50 - Lethal dose, 50 percent kill) to rat not reported. However, the lethal dose value (LD50) causing acute oral toxicity is 4590 mg/kg. This value indicate that 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one is non toxic by oral route.
Acute toxicity inhalation:-
Inhalation toxicity (LC50) of 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one was examined for 4 hrs.in male Swiss Webster mouse at a dose concentration of 538.488 ppm.This value suggest that the chemical 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one is non toxic by inhalation route.
Justification for selection of acute toxicity – oral endpoint
The lethal dose value (LD50) causing acute oral toxicity to Rat is 4590 mg/kg. This value indicate that 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one is non toxic to Rat by oral route.
Justification for selection of acute toxicity – inhalation endpoint
Inhalation toxicity (LC50) of 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one vapours was examined for 4 hrs.in male Swiss Webster mouse at a dose concentration of 538.488 ppm.This value suggest that the chemical 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one is non toxic by inhalation route.
Justification for selection of acute toxicity – dermal endpoint
Based on the endpoint varies between >2000 mg/L to 7000 mg/L it can be concluded that the substance 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one (b-ionone)is not toxic by dermal route.
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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