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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Acute oral toxicity:

LD50 was considered to be > 5000 mg/kg bw when male rat were treated with 1,1-diethoxy-3,7-dimethylocta-2,6-diene orally.

Acute dermal toxicity:

LD50 was considered to be > 5000 mg/kg bw when rabbits were treated with 1,1-diethoxy-3,7-dimethylocta-2,6-diene dermally.

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:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Justification for type of information:
Data is from WHO report
Qualifier:
according to guideline
Guideline:
other: as mentioned below
Principles of method if other than guideline:
Acute toxicity test was performed on male rats.
GLP compliance:
not specified
Test type:
other: No data available
Limit test:
yes
Specific details on test material used for the study:
- Name of test material: 1,1-diethoxy-3,7-dimethylocta-2,6-diene
- Molecular formula: C14H26O2
- Molecular weight: 226.35 g/mole
- Smiles notation: O(C(OCC)C=C(CCC=C(C)C)C)CC
- Substance type: Liquid
- Physical state: Organic
Species:
rat
Strain:
not specified
Sex:
male
Details on test animals or test system and environmental conditions:
No data available
Route of administration:
oral: unspecified
Vehicle:
not specified
Details on oral exposure:
No data available
Doses:
5000 mg/kg bw
No. of animals per sex per dose:
No data available
Control animals:
not specified
Details on study design:
No data available
Statistics:
No data available
Preliminary study:
No data available
Sex:
male
Dose descriptor:
LD50
Effect level:
> 5 000 mg/kg bw
Based on:
test mat.
Remarks on result:
other: No mortality observed
Mortality:
No mortality was observed in treated male rat
Clinical signs:
other: No data available
Gross pathology:
No data available
Other findings:
No data available
Interpretation of results:
Category 5 based on GHS criteria
Conclusions:
LD50 was considered to be > 5000 mg/kg bw when male rat were treated with 1,1-diethoxy-3,7-dimethylocta-2,6-diene orally.
Executive summary:

In a Acute toxicity test, male rat were treated with 1,1-diethoxy-3,7-dimethylocta-2,6-diene in the concentration of 5000 mg/kg bw orally. No mortality was observed in treated male rat at 5000 mg/kg bw. Therefore, LD50 was considered to be > 5000 mg/kg bw when male rat were treated with 1,1-diethoxy-3,7-dimethylocta-2,6-diene orally.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
Value:
5 000 mg/kg bw
Quality of whole database:
Data is Klimisch 2 and from peer reviewed journal

Acute toxicity: via inhalation route

Endpoint conclusion
Endpoint conclusion:
no study available

Acute toxicity: via dermal route

Link to relevant study records
Reference
Endpoint:
acute toxicity: dermal
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Justification for type of information:
Data is from peer- reviewed journal
Qualifier:
according to guideline
Guideline:
other: no data
Principles of method if other than guideline:
Acute dermal toxicity study of Citral diethylacetal in rabbits
GLP compliance:
not specified
Test type:
other: not specified
Limit test:
yes
Specific details on test material used for the study:
- Name of test material (as cited in study report): Citral diethylacetal (1,1-diethoxy-3,7-dimethylocta-2,6-diene)
- Molecular formula (if other than submission substance): C14H26O2
- Molecular weight (if other than submission substance): 226.357 g/mol
- Substance type: Organic
- Physical state: Solid
Species:
rabbit
Strain:
not specified
Sex:
not specified
Details on test animals or test system and environmental conditions:
not specified
Type of coverage:
other: dermal
Vehicle:
not specified
Details on dermal exposure:
not specified
Duration of exposure:
not specified
Doses:
5000 mg/kg
No. of animals per sex per dose:
not specified
Control animals:
not specified
Details on study design:
not specified
Statistics:
not specified
Preliminary study:
not specified
Sex:
not specified
Dose descriptor:
LD50
Effect level:
> 5 000 mg/kg bw
Based on:
test mat.
Remarks on result:
other: No mortality observed
Mortality:
No mortality was observed in treated rabbit
Clinical signs:
other: not specified
Gross pathology:
not specified
Other findings:
not specified
Interpretation of results:
Category 5 based on GHS criteria
Conclusions:
LD50 was considered to be > 5000 mg/kg bw when rabbit were treated with 1,1-diethoxy-3,7-dimethylocta-2,6-diene dermally.
Executive summary:

In a Acute toxicity study,rabbits were treated with 1,1-diethoxy-3,7-dimethylocta-2,6-diene in the concentration of 5000 mg/kg bw orally. No mortality was observed in treated rabbits at 5000 mg/kg bw. Therefore, LD50 was considered to be > 5000 mg/kg bw when rabbits were treated with 1,1-diethoxy-3,7-dimethylocta-2,6-diene dermally.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
Value:
5 000 ng/kg bw
Quality of whole database:
Data is Klimisch 2 and from peer reviewed journal

Additional information

Acute oral toxicity:

In different studies, 1,1-diethoxy-3,7-dimethylocta-2,6-diene has been investigated for acute oral toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments and estimated data in rodents, i.e. most commonly in rats for 1,1-diethoxy-3,7-dimethylocta-2,6-diene along withon structurally similar read across substanceCitral dimethylacetal (CAS no 7492-66-2).The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies.

In a experimental study given by WHO (WHO FOOD ADDITIVES SERIES: 48, Fifty-seventh meeting of the Joint FAO/WHO Expert Committee on Food Additives (JECFA) World Health Organization, Geneva, 2002), male rat were treated with 1,1-diethoxy-3,7-dimethylocta-2,6-diene in the concentration of 5000 mg/kg bw orally. No mortality was observed in treated male rat at 5000 mg/kg bw. Therefore, LD50 was considered to be > 5000 mg/kg bw when male rat were treated with 1,1-diethoxy-3,7-dimethylocta-2,6-diene orally.

In another experimental study conducted by Morenoet al (Food and Chemical Toxicology, Volume 21, Issue 5, October 1983, Page 667),rat were treated with 1,1-diethoxy-3,7-dimethylocta-2,6-diene in the concentration of 5000 mg/kg bw orally. No mortality was observed in treated male rat at 5000 mg/kg bw. Therefore, LD50 was considered to be > 5000 mg/kg bw when male rat were treated with 1,1-diethoxy-3,7-dimethylocta-2,6-diene orally.

Also further supported by prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for 1,1-diethoxy-3,7-dimethylocta-2,6-diene. The LD50 was estimated to be 6505 mg/kg bw when Wistar male rats were orally exposed with 1,1-diethoxy-3,7-dimethylocta-2,6-diene.

Further supported by prediction done by SSS (2017) using the Danish QSAR, 50 % mortality observed at 2900 mg/kg bw . Therefore, estimated LD50 was considered to be 2900 mg/kg bw when rat were treated with 1,1-diethoxy-3,7-dimethylocta-2,6-diene orally.    

This isfurther supported by experimental study conducted by Hartet al (A Collection of Monographs Originally Appearing in Food and Cosmetics Toxicology, 1979, Pages 230)on structurally similar read across substanceCitral dimethylacetal (CAS no 7492-66-2),rat were treated with Citral dimethylacetal in the concentration of 5000 mg/kg bw orally. No mortality was observed in treated male rat at 5000 mg/kg bw. Therefore, LD50 was considered to be > 5000 mg/kg bw when male rat were treated with Citral dimethylacetal orally.

Thus based on the above studies and predictions on 1,1-diethoxy-3,7-dimethylocta-2,6-diene and by applying weight of evidence, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus comparing this value with the criteria of CLP regulation, 1,1-diethoxy-3,7-dimethylocta-2,6-diene can be “Not Classified” for acute oral toxicity.

Acute dermal toxicity:

In different studies, 1,1-diethoxy-3,7-dimethylocta-2,6-diene has been investigated for acute dermal toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments and estimated data in rodents, i.e. most commonly in rabbits for 1,1-diethoxy-3,7-dimethylocta-2,6-diene along withon structurally similar read across substanceCitral dimethylacetal (CAS no 7492-66-2).The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies.

In a experimental study conducted by Morenoet al (Food and Chemical Toxicology, Volume 21, Issue 5, October 1983, Page 667),rabbits were treated with 1,1-diethoxy-3,7-dimethylocta-2,6-diene in the concentration of 5000 mg/kg bw dermally. No mortality was observed in treated rabbits at 5000 mg/kg bw. Therefore, LD50 was considered to be > 5000 mg/kg bw when rabbits were treated with 1,1-diethoxy-3,7-dimethylocta-2,6-diene dermally.

In another prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute dermal toxicity was estimated for 1,1-diethoxy-3,7-dimethylocta-2,6-diene. The LD50 was estimated to be 6418 mg/kg bw when New Zealand White male and female rabbit were dermally exposed with 1,1-diethoxy-3,7-dimethylocta-2,6-diene.

This isfurther supported by experimental study conducted by Hartet al (A Collection of Monographs Originally Appearing in Food and Cosmetics Toxicology, 1979, Pages 230)on structurally similar read across substanceCitral dimethylacetal (CAS no 7492-66-2),rabbits were treated with Citral dimethylacetal in the concentration of 5000 mg/kg bw dermally. No mortality was observed in treated rabbits at 5000 mg/kg bw. Therefore, LD50 was considered to be > 5000 mg/kg bw when rabbits were treated with Citral dimethylacetal dermally.

Thus based on the above studies and predictions on 1,1-diethoxy-3,7-dimethylocta-2,6-diene and by applying weight of evidence, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus comparing this value with the criteria of CLP regulation, 1,1-diethoxy-3,7-dimethylocta-2,6-diene can be “Not Classified” for acute dermal toxicity.

Justification for classification or non-classification

Based on the above studies and predictions on 1,1-diethoxy-3,7-dimethylocta-2,6-diene and by applying weight of evidence, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus comparing this value with the criteria of CLP regulation, 1,1-diethoxy-3,7-dimethylocta-2,6-diene can be “Not Classified” for acute oral and dermal toxicity.