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Toxicological information

Basic toxicokinetics

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Administrative data

Endpoint:
basic toxicokinetics in vivo
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: non-GLP, not guideline compliant study, publication

Data source

Reference
Reference Type:
publication
Title:
Studies in detoxication. 59. The metabolism of alkylbenzenes. The biological reduction of ketones derived from alkylbenzenes.
Author:
Smith JN
Year:
1954
Bibliographic source:
Biochemical Journal 57(1), 74-76

Materials and methods

Objective of study:
metabolism
Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
A single dose of 2 g test material was fed to 4 rabbits. Urinary metabolites were evaluated in 500 ml urine collected during 24 h. Metabolites were identified via chemical reactions with naphthoresorcinol, Benedict's reagent, Fehling's solution. Iodoform test for methyl ketone and methyl carbinol, Brady's reagent for ketones. Also melting point and optical rotation were determined.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
4-phenylbutan-2-one
EC Number:
219-847-4
EC Name:
4-phenylbutan-2-one
Cas Number:
2550-26-7
Molecular formula:
C10H12O
IUPAC Name:
4-phenylbutan-2-one
Test material form:
not specified
Details on test material:
- Name of test material (as cited in study report): methyl phenethyl ketone
- Other: b.p. 234 °C
Radiolabelling:
no

Test animals

Species:
rabbit
Strain:
not specified
Sex:
not specified

Administration / exposure

Route of administration:
oral: feed
Vehicle:
not specified
Duration and frequency of treatment / exposure:
single
Doses / concentrations
Remarks:
Doses / Concentrations:
2 g
No. of animals per sex per dose / concentration:
4
Control animals:
no
Details on dosing and sampling:
METABOLITE CHARACTERISATION STUDIES
- Tissues and body fluids sampled: urine
- Time and frequency of sampling: during 24 hours
- From how many animals: 4
- Method type(s) for identification: chemical reactions with naphthoresorcinol, Benedict's reagent, Fehling's solution. Iodoform test for methyl ketone and methyl carbinol, Brady's reagent for ketones. Melting point and optical rotation. The glucuronide have been isolated and characterized as triacetyl methyl ester.

Results and discussion

Toxicokinetic / pharmacokinetic studies

Details on absorption:
well absorbed after oral administration
Details on distribution in tissues:
no data
Details on excretion:
excreted via urine

Metabolite characterisation studies

Metabolites identified:
yes
Details on metabolites:
glucuronide of secondary carbinol

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): other: reduction of 4-phenylbutan-2-one to secondary carbinol
4-phenylbutan-2-one is partly reduced in the rabbit to secondary carbinol which is excreted in the urine as a glucuronic acid conjugate.
Executive summary:

A single dose of 2 g test material was fed to 4 rabbits. Urinary metabolites were evaluated in 500 ml urine collected during 24 h. After a single oral dose to rabbits, test substance was reduced to a secondary carbinol which was excreted in the urine as a glucuronic acid conjugate. The conjugate was identified as a triacetyl methyl ester.