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EC number: 208-793-7 | CAS number: 541-85-5
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
Description of key information
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- 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.
- 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.
Reference
A fiducial range was also estimated and the LD50 values ranged from 2560 - 2980 mg/kg bw.
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
- 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.
Reference
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
- 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.
Reference
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
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.
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