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EC number: 205-563-8 | CAS number: 142-82-5
- 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
Oral LD50 (rat) > 5000 mg/kg bw
Inhalation LC50 (rat) > 29.9 mg/L
Dermal LD50 (rabbit) > 2000 mg/kg bw
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study meets generally accepted scientific principles, acceptable for assessment.
- Justification for type of information:
- A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
- Reason / purpose for cross-reference:
- read-across: supporting information
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- Deviations:
- yes
- Remarks:
- Limit test with 5000 mg/kg versus 2000 mg/kg as per guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EPA OPPTS 870.1100 (Acute Oral Toxicity)
- Deviations:
- yes
- Remarks:
- Limit test with 5000 mg/kg versus 2000 mg/kg as per guideline
- GLP compliance:
- yes
- Test type:
- standard acute method
- Limit test:
- yes
- Species:
- rat
- Strain:
- Sprague-Dawley
- Sex:
- male/female
- Route of administration:
- oral: gavage
- Vehicle:
- unchanged (no vehicle)
- Doses:
- 5000 mg/kg bw
- No. of animals per sex per dose:
- 5
- Control animals:
- no
- Details on study design:
- - Duration of observation period following administration: 14 days
- Frequency of observations and weighing: observations daily; weighing on initiation and on days 7 and 14
- Necropsy of survivors performed: yes
- Other examinations performed: clinical signs, body weight - Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- > 5 000 mg/kg bw
- Mortality:
- No mortality occurred in any test animal over the 14-day observation period.
- Clinical signs:
- other: Clinical observations noted one-hour post exposure in 8 of 10 animals included depression, salivation, wheezing, rough coat, and soft feces. Two female rats appeared normal throughout the study. All animals appeared normal from day 2 through termination
- Gross pathology:
- No abnormal gross pathology findings were noted in any of the animals upon necropsy.
- Interpretation of results:
- other: Not classified
- Remarks:
- Criteria used for interpretation of results: other: GHS, EU, 2007
- Conclusions:
- Based on the study design the test substance, Isooctane, needs not to be classified.
- Executive summary:
Based on the study design the test substance, Isooctane, needs not to be classified.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- > 5 000 mg/kg bw
- Quality of whole database:
- 1 key read across study from a structural analogue available for assessment
Acute toxicity: via inhalation route
Link to relevant study records
- Endpoint:
- acute toxicity: inhalation
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study meets generally accepted scientific principles, acceptable for assessment.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 403 (Acute Inhalation Toxicity)
- Deviations:
- yes
- Remarks:
- - very limited documentation
- GLP compliance:
- no
- Test type:
- standard acute method
- Limit test:
- yes
- Species:
- rat
- Strain:
- Sprague-Dawley
- Sex:
- male/female
- Route of administration:
- inhalation: vapour
- Type of inhalation exposure:
- not specified
- Vehicle:
- other: unchanged (no vehicle)
- Analytical verification of test atmosphere concentrations:
- yes
- Duration of exposure:
- 4 h
- Concentrations:
- 29.29 mg/L nominal
17937.5 ± 5665.92 ppm (mean analytical concentration and SD) = 73.5 mg/L ± 2.32 (re-calculated from ppm value given in study report) - No. of animals per sex per dose:
- 10
- Control animals:
- not specified
- Details on study design:
- - Duration of observation period following administration: not specified, but at least 4 days
- Necropsy of survivors performed: yes
- Other examinations performed: clinical signs, body weight - Key result
- Sex:
- male/female
- Dose descriptor:
- LC50
- Effect level:
- > 29.29 mg/L air (nominal)
- Exp. duration:
- 4 h
- Remarks on result:
- other: only one concentration tested
- Key result
- Sex:
- male/female
- Dose descriptor:
- LC50
- Effect level:
- > 73.5 mg/L air (analytical)
- Exp. duration:
- 4 h
- Remarks on result:
- other: only one concentration tested
- Sex:
- male/female
- Dose descriptor:
- LC0
- Effect level:
- >= 29.29 mg/L air (nominal)
- Exp. duration:
- 4 h
- Remarks on result:
- other: only one concentration tested
- Mortality:
- No mortality occurred during the course of the study.
- Clinical signs:
- other: No clinical signs observed throughout the study.
- Body weight:
- Slight reduction of mean male body weights on day 2 post exposure, but males recovered by day 4.
Female weight changes were minimal.
All animals appeared normal throughout the study. - Gross pathology:
- All animals appeared normal at terminal necropsy with the exception of one female with enlarged mandibular lymph nodes on the right side
- Interpretation of results:
- not classified
- Remarks:
- Criteria used for interpretation of results: EU
- Conclusions:
- Based on the study design Normal-Heptane has a low order of toxicity by the inhalation route of exposure and needs not to be classified.
- Executive summary:
Based on the study design Normal-Heptane has a low order of toxicity by the inhalation route of exposure and needs not to be classified.
Reference
Normal-Heptane has a low order of toxicity by the inhalation route of exposure.
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LC50
- Value:
- > 29.9 mg/L air
- Physical form:
- inhalation: vapour
- Quality of whole database:
- 1 key study available for assessment
Acute toxicity: via dermal route
Link to relevant study records
- Endpoint:
- acute toxicity: dermal
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study meets generally accepted scientific principles, acceptable for assessment.
- Justification for type of information:
- A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
- Reason / purpose for cross-reference:
- read-across: supporting information
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 402 (Acute Dermal Toxicity)
- Deviations:
- yes
- Remarks:
- Only 3 animals per sex versus 5 as per guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EPA OPPTS 870.1200 (Acute Dermal Toxicity)
- Deviations:
- yes
- Remarks:
- Only 3 animals per sex versus 5 as per guideline
- GLP compliance:
- yes
- Test type:
- standard acute method
- Limit test:
- yes
- Species:
- rabbit
- Strain:
- New Zealand White
- Sex:
- male/female
- Type of coverage:
- not specified
- Vehicle:
- unchanged (no vehicle)
- Details on dermal exposure:
- TEST MATERIAL
- Amount(s) applied (volume or weight with unit): 2000 mg/kg bw - Duration of exposure:
- 24 hours
- Doses:
- 2000 mg/kg bw
- No. of animals per sex per dose:
- 3
- Control animals:
- no
- Details on study design:
- - Duration of observation period following administration: 14 days
- Frequency of observations and weighing: observation continuous, weighing on initiation and days 7 and 14
- Necropsy of survivors performed: yes
- Other examinations performed: clinical signs, body weight, dermal score - Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- > 2 000 mg/kg bw
- Mortality:
- No mortality occurred during the 14-day observation period.
- Clinical signs:
- other: All rabbits appeared normal throughout the study. Very slight dermal erythema was noted in all animals on day 1 after dosing, which persisted in one male and one female on day 3. All erythema had cleared by day 7. Very slight edema was noted in two males
- Gross pathology:
- No abnormal gross pathology was noted in any rabbits upon necropsy.
- Interpretation of results:
- other: not classified
- Remarks:
- Criteria used for interpretation of results: other: GHS, EU, 2007
- Conclusions:
- Based on the study design the test substance, Isooctane, needs not to be classified.
- Executive summary:
Based on the study design the substance, Isooctane, needs not to be classified.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- > 2 000 mg/kg bw
- Quality of whole database:
- 1 key read across study from a structural analogue available for assessment
Additional information
Acute inhalation toxicity data is available for Heptane. Acute oral and dermal toxicity data is available for structural analogue 2,2,4-trimethylpentane. This data is read across to based on analogue read across and a discussion and report on the read across strategy is provided as an attachment in IUCLID Section 13.
Oral
2,2,4-trimethylpentane
In a key study (Chevron Phillips Chemicals, 1982), five male and five female Sprague-Dawley rats were exposed, orally by gavage, to a single 5000 mg/kg bw dose of 2,2,4-trimethylpentane. The animals were observed for mortality and clinical signs for the next 14 days. No animals died during the study. Clinical signs of depression, salivation, wheezing, rough coat and soft faeces were observed from one-hour post exposure until day 2. No clinical signs were noted from day 2 to termination of the study. No abnormalities were noted at necropsy. The LD50 was determined to be >5000 mg/kg bw. Under the conditions of this study, 2,2,4-trimethylpentane does not need to be classified.
Inhalation
Heptane
Ten male and female Sprague-Dawley rats were exposed to Normal-Heptane via whole body inhalation at nominal concentration of 29.29 mg/L for 4 hours (similar to OECD 403). The analytical concentration was determined to be ca. 73.50 mg/L. There was no mortality during the course of the study. A slight reduction of mean male body weights was noted on day 2 post-exposure but males recovered by day 4. All animals appeared normal throughout the study and at terminal necropsy with the exception of one female observed with enlarged mandibular lymph nodes on the right side. The LC50 was greater than the nominal concentration of 29.29 mg/L (Chevron Phillips, 1982).
Dermal
2,2,4-trimethylypentane
In a key study (Chevron Phillips Chemicals, 1982), three male and three female New Zealand White rabbits were administered a single, topical 2000 mg/kg bw dose of 2,2,4-trimethylpentane. The test material remained in contact with the skin for 24 hours. Animals were observed for mortality and clinical signs for the next 14 days. No animals died during the study. No clinical signs of toxicity were observed. Very slight dermal erythema was noted in all animals on day 1, and persisted to day 3 in one male and one female. All erythema had cleared by day 7. Very slight oedema was noted in two males and one female on day 1 and cleared by day 3. Epidermal scaling was noted in one female on day 10. No abnormalities were noted at necropsy. The LD50 was determined to be >2000 mg/kg bw. Under the conditions of this study, 2,2,4-trimethylpentane does not need to be classified.
Justification for classification or non-classification
Based on available substance specific and read across data, Heptane is minimally toxic via ingestion where the LD50 is >5000 mg/kg bw, via dermal exposure where the LD50 is >2000 mg/kg bw, and by inhalation where the LC50 is > 29.29 mg/L. These findings do not warrant classification under the new Regulation (EC) 1272/2008 on classification, labeling and packaging of substances and mixtures (CLP).
Heptane is classified under EU CLP guidelines as STOT Single Exposure Category 3 (narcosis) based on non-lethal narcotic effects observed in acute inhalation exposure.
Heptane is classified under EU CLP guidelines as a Category 1 aspiration hazard based on its physical and chemical properties (hydrocarbon fluid, viscosity ≤ 20.5 mm2/s).
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