5-methylheptan-3-one

Endpoint summary

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records

Reference

Endpoint:

acute toxicity: oral

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1949

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Well documented non-GLP study for several substances

Principles of method if other than guideline:

Groups of 5 male albinos rats were given a single dose of 3-heptanone by stomach tube until 2 dosages differing by a multiple of 10 were found, the first one killing some or all of the animals and the other killing some or no animals within 14 days. The chosen concentrations were in a geometric series.

GLP compliance:

no

Remarks:

Study performed before the introduction of GLP

Limit test:

no

Species:

rat

Strain:

other: Sherman or Wistar

Sex:

male

Details on test animals or test system and environmental conditions:

Rats weighing ca. 120 g.

Route of administration:

oral: gavage

Vehicle:

water

Doses:

Geometric series of single doses such as 1, 2, 4 and 8 g/Kg body weight

No. of animals per sex per dose:

5

Control animals:

not specified

Sex:

male

Dose descriptor:

approximate LD50

Effect level:

2 760 mg/kg bw

Mortality:

Mortality was observed after oral dosing of 3-heptanone and was considered complete 14 days after dosing.

Clinical signs:

other: Not determined.

Gross pathology:

Not determined.

A fiducial range was also estimated and the LD50 values ranged from 2560 - 2980 mg/kg bw.

Interpretation of results:

not classified

Remarks:

Migrated information according to EU GHS or dangerous substance directive Criteria used for interpretation of results: EU

Conclusions:

3-Heptanone is not toxic via an oral exposure according to the EU classification system

Executive summary:

Acute oral toxicity to rats of 3-heptanone was investigated in a single-dose oral toxicity study. Dosing was performed by oral gavage and mortality was observed for 14 days after dosage. Groups of 5 male animals were used per dose. The calculated LD50 for 3 -heptanone was 2760 mg/kg bw and thus above the classification threshold for acute oral toxicity of 2000 mg/kg bw according to Regulation (EC) 1272/2008 or Directive 67/548/EEC.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

2 760 mg/kg bw

Acute toxicity: via inhalation route

Link to relevant study records

Reference

Endpoint:

acute toxicity: inhalation

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1949

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Well documented non-GLP study for several substances

Principles of method if other than guideline:

Six male albino rats were exposed for 4 hours to a flowing stream of vapors with known vapour concentrations of 3-heptanone
The chosen concentrations were in a geometric series with a factor of 2.

GLP compliance:

no

Remarks:

study performed before the introduction of GLP

Limit test:

no

Species:

rat

Strain:

other: Sherman or Wistar

Sex:

male

Details on test animals or test system and environmental conditions:

Rats weighing ca. 120 g.

Route of administration:

inhalation: vapour

Vehicle:

air

Analytical verification of test atmosphere concentrations:

no

Duration of exposure:

4 h

Concentrations:

Concentrations ranged from 2000 ppm to 4000 ppm. The chosen concentrations were in a geometric series with a factor of 2.

No. of animals per sex per dose:

6

Control animals:

not specified

Sex:

male

Dose descriptor:

LC0

Effect level:

9.4 mg/L air

Exp. duration:

4 h

Sex:

male

Dose descriptor:

LC100

Effect level:

18.9 mg/L air

Exp. duration:

4 h

Mortality:

Mortality was observed after dosing of 3-heptanone and was considered complete 14 days after dosing.

Interpretation of results:

Toxicity Category IV

Remarks:

Migrated information according to EU GHS Criteria used for interpretation of results: EU

Conclusions:

3-Heptanone is toxic by inhalation category 4 according to the EU classification system. Similarly, it is harmful by inhalation (R20) according to directive 67/548/EEC

Executive summary:

Acute inhalative toxicity to rats of 3-heptanone was investigated in a vapor single-dose exposure study. Dosing was performed by exposing the animal to a stream of air saturated with 3-heptanone and mortality was observed for 14 days after dosage. Groups of 6 male animals were used per dose. The LC0 for 3-heptanone was 9.4 mg/L air and the LC100 was 18.9mg/L. Therefore, the LC50

of 3-heptanone lies within the range for the classification as inhalation acute toxic IV according to according to Regulation 1272/2008/EC (10<LC50<20mg/L). For the same reason, 3-heptanone is classified as harmful by inhalation (R20) according to directive 67/548/EEC.

Endpoint conclusion

Endpoint conclusion:

adverse effect observed

Dose descriptor:

LC50

Value:

18 900 mg/m³ air

Quality of whole database:

Remark: the value is an LC100, the LC0 is 9400 mg/m3.

Acute toxicity: via dermal route

Link to relevant study records

Reference

Endpoint:

acute toxicity: dermal

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1949

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Well documented non-GLP study for several substances

Principles of method if other than guideline:

Penetration of rabbit skin estimated by a cuff method using groups of four male rats, exposing the skin to hexan-2-one for 24 hours.

GLP compliance:

no

Remarks:

study performed before the introduction of GLP

Limit test:

no

Species:

rabbit

Strain:

New Zealand White

Sex:

male

Details on test animals or test system and environmental conditions:

New Zealand giant albino rabbit.

Type of coverage:

occlusive

Details on dermal exposure:

The dose was retained beneath an impermeable plastic film in contact with the body surface

Duration of exposure:

24 hours

Doses:

up to 20 ml/kg bw

No. of animals per sex per dose:

6

Control animals:

not specified

Sex:

male

Dose descriptor:

approximate LD50

Effect level:

> 20 mL/kg bw

Interpretation of results:

not classified

Remarks:

Migrated information according to EU GHS or dangerous substance directive Criteria used for interpretation of results: EU

Conclusions:

3-heptanone is not toxic via an dermal exposure according to the EU classification system

Executive summary:

Acute dermal toxicity to rabbits of 3-heptanone was investigated in a single-dose dermal toxicity study. Dosing was performed by exposing the body surface with 3-heptanone retained on the skin with an impermeable plastic film and mortality was observed for 14 days after dosage. Groups of 5 male animals were used per dose. The LD50 for 3-heptanone was above 20 ml/kg bw, corresponding to 16400 mg/kg bw which is above the classification threshold for acute oral toxicity of 2000 mg/kg bw according to Regulation (EC) 1272/2008 or Directive 67/548/EEC.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

16 400 mg/kg bw

Additional information

Oral and dermal acute toxicity: based on the available data for the read-across substances 3-heptanone and hexan-2-one and the substance of interest 5-methylheptan-3-one, it can be concluded that 5 -methylheptan-3-one does not show any adverse effect with respect to acute toxicity via the oral or dermal route.

Inhalation acute toxicity: based on the available data for the read-across substances 3-heptanone and the substance of interest 5-methylheptan-3-one, it can be concluded that 5-methylheptan-3-one shows an adverse effect via the inhalation route, leading to a classification as acute toxic category 4 according to Regulation (EC) 1272/2008 and a classification as harmful by inhalation according to Directive 67/548/EEC.

Justification for selection of acute toxicity – oral endpoint
For the studies on 5-methylheptan-3-one, the original reports cannot be obtained any more. Therefore, the study for the read across substance 3-heptanone, as the most similar substance, was selected (see also read-across justification). The available results for 5-methylheptan-3-one confirm that, similar to the read-across substance 3-heptanone, 5-methylheptan-3-one does not show any adverse effect via the oral route. This is additionally confirmed by range-finding data from the 90-day oral toxicity study for which a letter of access could not be obtained.

Justification for selection of acute toxicity – inhalation endpoint
For the studies on 5-methylheptan-3-one, the original reports cannot be obtained any more. Therefore, the study for the read across substance 3-heptanone, as the most similar substance, was selected (see also read-across justification). The available results for 5-methylheptan-3-one confirm that, similar to the read-across substance 3-heptanone, 5-methylheptan-3-one shows adverse effect via the inhalation route.

Justification for selection of acute toxicity – dermal endpoint
For 5-methylheptan-3-one no studies on acute dermal toxicity are available. Therefore, the study for the read across substance 3-heptanone, as the most similar substance, was selected (see also read-across justification). Based on the read-across substance 3-heptanone, 5-methylheptan-3-one does not show any adverse effect via the dermal route.

Justification for classification or non-classification

Inhalation acute toxicity: as for the read-across substance 3-heptanone, the LC50 value of 5-methylheptan-3-one falls within the range (10<LC50=20 mg/L) for the classification as acute toxic 4 according to Regulation (EC) 1272/2008 and harmful by inhalation (R20) according to Directive 67/548/EEC. Consequently, 5-methylheptan-3-one has to be classified as Category 4 (H332) according to Regulation (EC)1272/2008 and as harmful by inhalation (R20) according to Directive 67/548/EEC.

Oral and dermal acute toxicity: as for the read-across substances 3-heptanone and hexan-2-one, the LD50 value for 5-methylheptan-3-one is above the threshold (2000 mg/kg bw) for the classification as acute toxic (oral or dermal) according to Directive 67/548/EEC and Regulation (EC) 1272/2008. Consequently, 5-methylheptan-3-one is not considered toxic via the dermal and oral route and is not classified according to Directive 67/548/EEC and Regulation (EC) 1272/2008.