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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
acute toxicity: oral
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Study period:
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
equivalent or similar to guideline
OECD Guideline 401 (Acute Oral Toxicity)
GLP compliance:
Test type:
standard acute method
Limit test:
not specified
not specified
Details on test animals or test system and environmental conditions:
no data
Route of administration:
oral: unspecified
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
not needed
not specified
Dose descriptor:
Effect level:
> 5 000 mg/kg bw
Based on:
test mat.
Clinical signs:
slightly lethargy
Body weight:
no data
Gross pathology:
no data
Interpretation of results:
not classified
Migrated information Criteria used for interpretation of results: EU
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.
Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
discriminating dose
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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