Octan-2-one

Endpoint summary

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.