4-tert-butylbenzaldehyde

Basic toxicokinetics

Administrative data

Endpoint:

basic toxicokinetics in vivo

Type of information:

experimental study

Adequacy of study:

other information

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Acceptable study report which meets basic scientific principles.

Cross-reference

Reason / purpose for cross-reference:

reference to same study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

1982

Report date:

1982

Materials and methods

Objective of study:

metabolism

Test guideline

Qualifier:

no guideline followed

Principles of method if other than guideline:

Groups of rats are gavaged daily with graduated doses of the test article for 5 consecutive days. For 24 hours, urine is collected after the last application of the compound. Urinary metabolites are detected by appropriate method (GC)

GLP compliance:

not specified

Test material

Test material information

Constituent 1

Reference substance name:

4-tert-butylbenzaldehyde

EC Number:

213-367-9

EC Name:

4-tert-butylbenzaldehyde

Cas Number:

939-97-9

Molecular formula:

C11H14O

IUPAC Name:

4-tert-butylbenzaldehyde

Details on test material:

- Name of test material (as cited in study report): p-tert-butylbenzaldehyde
- Analytical purity: no data given

Radiolabelling:

no

Test animals

Species:

rat

Strain:

other: SPF albino

Sex:

male

Administration / exposure

Route of administration:

oral: gavage

Vehicle:

other: rape oil

Duration and frequency of treatment / exposure:

5 days

Doses / concentrations

Remarks:

Doses / Concentrations:
0, 12.5 and 50 mg/kg bw

No. of animals per sex per dose / concentration:

- Control: 4 male animals
- Dosed groups: 8 males/dose

Control animals:

yes

Details on study design:

The urine samples were acidified with 37 % hydrochloric acid to pH 1-2 and extracted with ethylacetate using pre-packed extraction columns according to the procedure recommended by the manufacturer (Extrelut, Merck No. 11737/8).
After evaporation of the extraction solvent the residue was dissolved in 5 ml ethylacetate/methanol (4:1).
0.5 ml of the ethylacetate/methanol extract was evaporated to dryness, taken up in 200 µl DMF and methylated by heating with 200 µl DMF-DMA (Fluka) for 15 min at 90 °C.
0.5 ml of the ethylacetate/methanol extract was evaporated to dryness and heated with 1 ml acetic anhydride for 5 min at 95 °C in order to transform hippuric acid and TBHA into the corresponding molecules.
For GC analysis 1 µl of the reaction mixture was injected without further treatment. For GC reference pure TBBA was methylated with DMF-DMA.

Details on dosing and sampling:

METABOLITE CHARACTERISATION STUDIES
- Tissues and body fluids sampled: urine
- Time and frequency of sampling: 24 h urine was collected after the last application of the test material
- From how many animals: no data given
- Method type for identification: GC-MS

Results and discussion

Metabolite characterisation studies

Metabolites identified:

yes

Details on metabolites:

p-Tert-butylbenzoic acid (TBBA) was identified as metabolite in the 24 hours urine in rats treated with p-tert-butylbenzaldehyde (TBB), but not the secondary metabolite p-tert-butylhippuric acid.

Any other information on results incl. tables

dose level      weight of rats    TBBA in last 24 h-urine
TBB (mg/kg)          (g)          (mg/l)     (mg/kg)
----------------------------------------------------------
  0                  904            n.d.       n.d.
12.5 mg/kg          1742             29        1.2
50.0 mg/kg          1578            235       12.7
n.d. = not detectable