Reaction mass of 1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde and 1-methyl-3-(4-methylpentyl)-3-cyclohexene-1-carboxaldehyde

Acute Toxicity: oral

Administrative data

Endpoint:

acute toxicity: oral

Type of information:

experimental study

Adequacy of study:

key study

Study period:

March 13, 1963

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

The study meets the EC Standards (conducted equivalent to OECD 401). Non GLP. Deviations: no details on test material, limited details on test animals and environmental conditions. However, dose, number of animals and observation period and considering mortality observed, the result is considered reliable with restrictions.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

1963

Report date:

1963

Materials and methods

Test guideline

Qualifier:

equivalent or similar to guideline

Guideline:

OECD Guideline 401 (Acute Oral Toxicity)

Deviations:

yes

Remarks:

no details on test material, limited details on test animals and environmental conditions.

GLP compliance:

no

Remarks:

not present at the time of performance.

Test type:

acute toxic class method

Limit test:

no

Test material

Test material information

Constituent 1

Reference substance name:

1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde

EC Number:

266-314-7

EC Name:

1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde

Cas Number:

66327-54-6

Molecular formula:

C14H24O

IUPAC Name:

1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde

Constituent 2

Reference substance name:

1-methyl-3-(4-methylpentyl)-3-Cyclohexene-1-carboxaldehyde

Cas Number:

693252-50-5

Molecular formula:

C14H24O

IUPAC Name:

1-methyl-3-(4-methylpentyl)-3-Cyclohexene-1-carboxaldehyde

impurity 1

Reference substance name:

Cyclohexanecarboxaldehyde, 1-methyl-4-(4-methylpentyl)-, trans-

Cas Number:

76169-46-5

Molecular formula:

C14H26O

IUPAC Name:

Cyclohexanecarboxaldehyde, 1-methyl-4-(4-methylpentyl)-, trans-

impurity 2

Reference substance name:

Cyclohexanecarboxaldehyde, 1-methyl-4-(4-methylpentyl)-, cis-

Cas Number:

76169-45-4

Molecular formula:

C14H26O

IUPAC Name:

Cyclohexanecarboxaldehyde, 1-methyl-4-(4-methylpentyl)-, cis-

impurity 3

Reference substance name:

1-methyl-4-(4-methylpentylidene)cyclohexanecarbaldehyde

Molecular formula:

C14H24O

IUPAC Name:

1-methyl-4-(4-methylpentylidene)cyclohexanecarbaldehyde

impurity 4

Reference substance name:

1-methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde

EC Number:

257-942-2

EC Name:

1-methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde

Cas Number:

52475-86-2

Molecular formula:

C14H22O

IUPAC Name:

1-Methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde

impurity 5

Reference substance name:

1-methyl-3-(4-methylpentylidene)cyclohexanecarbaldehyde

Molecular formula:

C12H24O

IUPAC Name:

1-methyl-3-(4-methylpentylidene)cyclohexanecarbaldehyde

Specific details on test material used for the study:

- Name of test material (as cited in study report): Compound A - 7155 (1-Formyl1-Methyl-4-(4methyl-dentan-1-yl)-Cyclohexane)
- Description: colorless liquid

Please note that although the substance is stated as a mono-constituent substance 21-Formyl1-Methyl-4-(4methyl-dentan-1-yl)-Cyclohexane in the report, recent analytical data had been determined the substance to be a multi-constituent (Reaction mass of 1-methyl-3-(4-methylpentyl)-3-cyclohexene-1-carboxaldehyde and 1-methyl-4-(4-methylpentyl)-3-cyclohexene-1-carboxaldehyde). As the chemical manufacturing process has not changed since the report was written, the recent analytical information is relevant to the batch which was tested.

Test animals

Species:

rat

Strain:

other: Holtzman

Sex:

female

Details on test animals or test system and environmental conditions:

TEST ANIMALS
- Weight at study initiation: 100 to 125 g
- Housing: in raised wire mesh cages
- Diet: regular diet of Fox Blox

Administration / exposure

Route of administration:

other: intragastrically (gavage)

Vehicle:

unchanged (no vehicle)

Details on oral exposure:

GAVAGE METHOD: rigid stomach tube, single dose.

MAXIMUM DOSE VOLUME APPLIED: 8.0 mL/kg) body weight

Doses:

1.0, 1.3, 6.0, 6.2, 6.5, 7.0, 7.5 and 8.0 mL/kg body weight. We assume dose 1.0 and 1.3 should read 10 and 13 mL/kg considering the results.

No. of animals per sex per dose:

10

Control animals:

no

Details on study design:

- Duration of observation period following administration: 7 days
- Clinical signs for observation: loss in body weight, convulsions, ataxia, emesis and or death
- Necropsy of survivors performed: no

Statistics:

The method of Litchfield, V.T. and Wilcoxon, F., Journal of Pharmacology and Experimental Therapeutics, Vol/ 96, p.99, 1949 was used in calculating the oral LD50.

Results and discussion

Effect levels

Sex:

female

Dose descriptor:

LD50

Effect level:

7.73 mL/kg bw

Based on:

test mat.

95% CL:

7 - 8.5

Mortality:

6.0 mL/kg: 0/10
6.2 mL/kg: 1/10
6.5 mL/kg: 3/10
7.0 mL/kg: 3/10
7.5 mL/kg: 4/10
8.0 mL/kg: 6/10
10 mL/kg: 8/10
13 mL/kg: 10/10

Clinical signs:

other: Not reported.

Gross pathology:

No data

Applicant's summary and conclusion

Interpretation of results:

GHS criteria not met

Conclusions:

In an acute oral toxicity study with rats, performed equivalent to OECD 401 guidelines, an LD50 of 7.73 mL/kg bw was determined.

Executive summary:

Compound A - 7155 (1-Formyl1-Methyl-4-(4methyl-dentan-1-yl)-Cyclohexane) was tested in an acute oral toxicity study with rats, performed equivalent to OECD 401 guideline. Deaths occurred starting at the 6.2 mL/kg dose level.

Based on the results, an LD50 of 7.73 mL/kg bodyweight was determined.