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EC number: 700-886-5 | CAS number: 1378867-81-2
- 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 study demonstrate no acute toxicity via the oral route.
Data are read-across from structural analogues, i.e. 4-(4-Methyl-pent-3-enyl)-cyclohex-3-enecarbaldehyde, based on e.g., similar physico-chemical properties, molecular size, systemic uptake.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- 1974
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: (i) no information on housing and feeding conditions given, (ii) no pathology reporting, (iii) no information on test substance stability, batch and purity given
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- Deviations:
- no
- GLP compliance:
- no
- Test type:
- standard acute method
- Limit test:
- yes
- Species:
- rat
- Strain:
- not specified
- Sex:
- not specified
- Details on test animals or test system and environmental conditions:
- no data
- Route of administration:
- oral: unspecified
- Vehicle:
- other:
- Doses:
- 5000 mg/kg bw.
- No. of animals per sex per dose:
- 10 animals
- Control animals:
- not specified
- Details on study design:
- - Duration of observation period following administration: 14 days
- Frequency of observations: daily
- Necropsy of survivors performed: no
- Other examinations performed: clinical signs - Statistics:
- not needed
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- > 5 000 mg/kg bw
- Based on:
- test mat.
- Mortality:
- 0
- Clinical signs:
- other: slightly lethargy
- Gross pathology:
- no data
- Interpretation of results:
- not classified
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- LD50 > 5000 mg/kg bw
According to Directive 67/548/EEC and its subsequent amendments, 4-(4-Methyl-pent-3-enyl)-cyclohex-3-enecarbaldehyde should not be classified as acute oral toxic.
According to the Regulation (EC) No 1272/2008 and subsequent regulations, 4-(4-Methyl-pent-3-enyl)-cyclohex-3-enecarbaldehyde should not be classified as acute oral toxic.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- discriminating dose
- Value:
- 5 000 mg/kg bw
- Quality of whole database:
- The read across concept is reported under "discussion" below and it is assessed as being fully justified. Hence, further testing is not necessary.
Additional information
Read across concept (for more information please refer to the attachment):
Since there is a data gap for acute oral toxicity of the target chemical1-Cyclohexene-1-propanal, 4-(1-methylethyl)-, (4R)-(CAS: 1378867-81-2; EC: 700-886-5), this assessment aims at examining whether read across from toxicological data of Vertomugal to 1-Cyclohexene-1-propanal, 4-(1-methylethyl)-, (4R)- is justified for this single endpoint.
1-Cyclohexene-1-propanal, 4-(1-methylethyl)-, (4R)- and the source chemical Vertomugal are derivatives of cyclohexene, both witha non-polar alkyl or alkenyl moiety and a polar aldehyde group. The latter group, however, dominates the chemical behaviour (see above). Based on similar structure and molecular weight (1-Cyclohexene-1-propanal, 4-(1-methylethyl)-, (4R)-: 180.3 g/mole and Vertomugal: 192.3 g/mole), both substances are nearly similar in molecular size. Further, they are of similar polarity which seems to be confirmed by the results from physico-chemical testing, i.e. water solubility and octanol/water partitioning.
The octanol/water partition coefficients (logKow) of 1-Cyclohexene-1-propanal, 4-(1-methylethyl)-, (4R)- and Vertomugal are 4.3 and 4.7, respectively which means medium lipophilicity (logKow > 4). Water solubility was determined to be 34.5 mg/L (1-Cyclohexene-1-propanal, 4-(1-methylethyl)-, (4R)-) and 88 mg/L (Vertomugal).
Considering similar chemical structure and molecular size as well as similar physico-chemical properties relevant for bioavailability and uptake, it can safely be assumed that the toxicokinetic behaviour of 1-Cyclohexene-1-propanal, 4-(1-methylethyl)-, (4R)- and Vertomugal is comparable. Therefore, read acrossfor the single endpoint “acute oral toxicity” is fully justified. This read across is conservative since water solubility and lipophilicity, i.e. properties causally related with uptake and subsequent acute toxicity, of the source chemical are higher than those of the target chemical.
Justification for selection of acute toxicity – oral endpoint
Two studies, one in rat and one in mouse, conducted with 4-(4-Methyl-pent-3-enyl)-cyclohex-3-enecarbaldehyde were used for read across to 3-[(4R)-4-isopropylcyclohexen-1-yl]propanal. Generally, rats were used for testing. Hence, this study is used as key study and the study performed with mice is used as supporting study.
Justification for classification or non-classification
The available information indicates that 3-[(4R)-4-isopropylcyclohexen-1-yl]propanal is not acutely toxic via the oral route. Hence, 3-[(4R)-4-isopropylcyclohexen-1-yl]propanal requires no classification as acute toxic vial the oral route according to Directive 67/548/EECand its subsequent amendmentsand according to Regulation (EC) No 1272/2008 and subsequent regulations.
Specific target organ toxicant (STOT) – single exposure: oral
The classification criteria according to Regulation (EC) No 1272/2008 and subsequent regulations as specific target organ toxicant (STOT) – single exposure, oral is not met since reversible or irreversible adverse health effects (local or/and systemic) were not observed below lethal levels in addition to this effect that were responsible for the death of the animals. Hence, classification is not required.
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