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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Description of key information

Oral LD50 (rat) >5000 mg/Kg bw

Inhalative LC50 (rat) >33520 mg/m³

Dermal LD50 (rabbit) >2000 mg/Kg bw

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records
Reference
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.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
Value:
> 5 000 mg/kg bw
Quality of whole database:
One key read across study from a structural analogue available for assessment.

Acute toxicity: via inhalation route

Link to relevant study records
Reference
Endpoint:
acute toxicity: inhalation
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. Vapour generation and analysis not well documented.
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 403 (Acute Inhalation Toxicity)
Deviations:
yes
Remarks:
- limit test concentration: 5 mg/L
Qualifier:
equivalent or similar to guideline
Guideline:
EPA OPPTS 870.1300 (Acute inhalation toxicity)
GLP compliance:
yes
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:
whole body
Vehicle:
other: unchanged (no vehicle)
Duration of exposure:
4 h
Concentrations:
33.52 mg/L nominal concentration
21561.5 ± 776.32 ppm mean analytical concentration
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: day 2, 3, and 4 mentioned, not further specified
- Necropsy of survivors performed: yes
- Other examinations performed: clinical signs, body weight
Statistics:
not reported
Key result
Sex:
male/female
Dose descriptor:
LC50
Effect level:
> 33.52 mg/L air (nominal)
Exp. duration:
4 h
Mortality:
No mortality occurred during the 14-day observattion period.
Clinical signs:
other: Exposure-related observations noted in all animals during the exposure period included lying prostrate in the cage and rapid respiration. All animals appeared normal throughout the post exposure period.
Body weight:
Sightly decreased body weights were noted in the males on day 2 post exposure and in the females on days 2, 3 and 4 post exposure.
Gross pathology:
No abnormal gross pathology observations were noted in any animals upon necropsy.

Inhalation LC50 > 33.52 mg/L air (nominal) for 4 hours in male and female rats.

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.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LC50
Value:
> 33 520 mg/m³ air
Physical form:
inhalation: vapour
Quality of whole database:
One key read across study from a structural analogue available for assessment.

Acute toxicity: via dermal route

Link to relevant study records
Reference
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.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
Value:
> 2 000 mg/kg bw
Quality of whole database:
One key read across study from a structural analogue available for assessment.

Additional information

There is no data available forIsoheptane. However, data is available for a structural analogue, 2,2,4-trimethylpentane (isooctane) and presented in the dossier. This data is read across toIsoheptanebased 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

The acute oral LD50 value in rats was greater than 5000 mg/Kg for 2,2,4 -trimethylpentane (isooctane). Clinical observations noted one-hour post exposure in 8 of 10 animals included depression, salivation, wheezing, rough coat, and soft faeces. Two female rats appeared normal throughout the study. All animals appeared normal from day 2 through termination of the study. (Chevron Phillips Chemical International, 1982).

 

Inhalation

 

2,2,4 -trimethylpentane

Ten male and female Sprague-Dawley rats were exposed to 2,2,4-trimethylpentane (isooctane) via whole body inhalation at nominal concentration of 33520 mg/m³ for 4 hours (similar to OECD 403). There was no mortality during the course of the study. Sightly decreased body weights were noted in the males on day 2 post exposure and in the females on days 2, 3 and 4 post exposure. No abnormal gross pathology observations were noted in any animals upon necropsy The LC50 was greater than the nominal concentration of 33520 mg/m³ (Chevron Phillips Chemical International, 1982).

 

Dermal

 

2,2,4 -trimethylpentane

The dermal LD50 value of 2,2,4 -trimethylpentane (isooctane), as determined in rabbits, was greater than the limit dose of 2000 mg/Kg. 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 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 (Chevron Phillips Chemical International, 1982).

Justification for classification or non-classification

Based on available read across data, Isoheptane is minimally toxic via ingestion where the LD50 is >5000 mg/Kg, via dermal exposure where the LD50 is >2000 mg/Kg, and by inhalation where the LC50 is >33520 mg/m3. These findings do not warrant classification under the new Regulation (EC) 1272/2008 on classification, labeling and packaging of substances and mixtures (CLP). However, acute inhalative exposure may result in non-lethal narcotic effects and therefore, Isoheptane meets the criteria for classification as H336: STOT Single Exposure Category 3 (narcosis).

Isoheptane 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).