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Link to relevant study record(s)

Reference
Endpoint:
basic toxicokinetics in vivo
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
secondary literature
Justification for type of information:
Data is from secondary source
Objective of study:
metabolism
Qualifier:
according to guideline
Guideline:
other: No data
Principles of method if other than guideline:
Absorption, distribution, metabolism and excretion (ADME) of octan-2-one
GLP compliance:
not specified
Specific details on test material used for the study:
- Name of test material: 2-octanone
- IUPAC name: octan-2-one
- Molecular formula: C8H16O
- Molecular weight: 128.2134 g/mole
- Substance type: Organic
- Physical state: Liquid
Radiolabelling:
not specified
Species:
other: Mammals (not specified)
Strain:
not specified
Sex:
not specified
Route of administration:
other: No data
Vehicle:
not specified
Duration and frequency of treatment / exposure:
No data
Remarks:
Doses / Concentrations:
No data
No. of animals per sex per dose / concentration:
No data
Control animals:
not specified
Type:
absorption
Results:
The chemical is rapidly absorbed in the gastrointestinal tract since the chemical is a flavoring substance.
Type:
distribution
Results:
No specific data, but since the chemical is extensively metabolized distribution in the liver is expected.
Type:
metabolism
Results:
The chemical is reported to be extensively metabolized in mammals.
Type:
excretion
Results:
Excretion occurs in the urine or bile.
Metabolites identified:
yes
Details on metabolites:
The potential metabolic reactions involved in the biotransformation are (i) conjugation of secondary alcohols with glucuronic acid followed by excretion in the urine or bile; (ii) oxidation of secondary alcohols to the corresponding ketone (iii) reduction of ketones to the corresponding secondary alcohol with subsequent excretion as conjugate of glucuronic acid; (iv) omega oxidation of short-chain ketones (carbon atoms < 5) or oxidation of the terminal methyl group and subsequent oxidation to yield an alpha-ketocarboxylic acid; (v) oxidation of double bonds; (vi) hydrolysis of esters via carboxylesterases followed by excretion of the secondary alcohol as glucuronide-conjugate and metabolism of the linear carboxylic acid by beta-oxidation in the fatty acid pathway and citric acid cycle.
Conclusions:
The in-vivo absorption and metabolism of the chemical Octan-2-one suggests rapid absorption of the chemical in the gastrointestinal tract, followed by extensive metabolism involving reduction of ketones to the corresponding secondary alcohol with subsequent excretion as conjugate of glucuronic acid or oxidation of the terminal methyl group and subsequent oxidation to yield an alpha-ketocarboxylic acid; and metabolism of the linear carboxylic acid by beta-oxidation in the fatty acid pathway and citric acid cycle. Excretion is reported to occur in the urine or bile. Thus, the chemical is expected to have low bio-accumulaton potential based on the study results.
Executive summary:

Available data pertaining to the in-vivo absorption and metabolism of the chemical Octan-2-one suggests rapid absorption of the chemical in the gastrointestinal tract, followed by extensive metabolism involving reduction of ketones to the corresponding secondary alcohol with subsequent excretion as conjugate of glucuronic acid or oxidation of the terminal methyl group and subsequent oxidation to yield an alpha-ketocarboxylic acid; and metabolism of the linear carboxylic acid by beta-oxidation in the fatty acid pathway and citric acid cycle. Excretion is reported to occur in the urine or bile.

Thus, there is no evidence that they or their metabolites would accumulate in tissues and cause a concern for consumer safety. Hence it is concluded that Octan-2-one is likely to exhibit low bio-accumulation potential based on study results.

Description of key information

The in-vivo absorption and metabolism of the chemical Octan-2-one suggests rapid absorption of the chemical in the gastrointestinal tract, followed by extensive metabolism involving reduction of ketones to the corresponding secondary alcohol with subsequent excretion as conjugate of glucuronic acid or oxidation of the terminal methyl group and subsequent oxidation to yield an alpha-ketocarboxylic acid; and metabolism of the linear carboxylic acid by beta-oxidation in the fatty acid pathway and citric acid cycle. Excretion is reported to occur in the urine or bile. Thus, the chemical is expected to have low bio-accumulaton potential based on the study results.

Key value for chemical safety assessment

Bioaccumulation potential:
low bioaccumulation potential

Additional information

Available data pertaining to the in-vivo absorption and metabolism of the chemical Octan-2-one suggests rapid absorption of the chemical in the gastrointestinal tract, followed by extensive metabolism involving reduction of ketones to the corresponding secondary alcohol with subsequent excretion as conjugate of glucuronic acid or oxidation of the terminal methyl group and subsequent oxidation to yield an alpha-ketocarboxylic acid; and metabolism of the linear carboxylic acid by beta-oxidation in the fatty acid pathway and citric acid cycle. Excretion is reported to occur in the urine or bile.

Thus, there is no evidence that they or their metabolites would accumulate in tissues and cause a concern for consumer safety. Hence it is concluded that Octan-2-one is likely to exhibit low bio-accumulation potential based on study results.