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EC number: 219-847-4 | CAS number: 2550-26-7
Basic toxicokinetics
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:
- 1 954
- 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
- 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
Constituent 1
- 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.
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