3,3-dimethyl-8,9-dinorbornan-2-one

Endpoint summary

Description of key information

Acute oral toxicity: 

Acute oral toxicity dose (LD50) of 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) was considered based on different experimental studies conducted by Steven et al.(Weed Science, Vol. 44, No. 1, pp. 7-11, Jan. - Mar., 1996) 4400 mg/kg bw in rat; D. L. J. Opdyke (Food and Cosmetics Toxicology, Volume 14, Supplement, 1976, Pages 769-771) and Robert et al.(Essential Oil Safety (Second Edition), A Guide for Health Care Professionals, 2014, Pages 483–647) 6160 mg/kg bw in rat; Petros et al.(Regulated Chemicals Directory 1995, 2012)12750 mg/kg bw in mice; and based on OECD QSAR toolbox 2687 mg/kg bw and different studies available on structurally similar read across substances (1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one (CAS no: 4695-62-9)6160 mg/kg bw; and 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane (CAS no: 470-82-6) 2480 mg/kg bw. All these studies concluded that the LD50 value is >2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3,3-Dimethyl-8,9-dinorbornan-2-one cannot be classified for acute oral toxicity.

Acute Dermal toxicity: 

Acute Dermal toxicity dose (LD50) for 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) was considered based on experimental study conducted by D. L. J. Opdyke (Food and Cosmetics Toxicology, Volume 14, Supplement, 1976, Pages 769-771) and Robert et al.(Essential Oil Safety (Second Edition), A Guide for Health Care Professionals, 2014, Pages 483–647) >5000 mg/kg bw; predicted based on OECD QSAR toolbox 3446 mg/kg bw and studies available for the structurally similar read across substances Exo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CAS no: 124-76-5) >5000 mg/kg bw and 4-tert-Butylcyclohexanone (CAS no: 98-53-3) 5000 mg/kg bw. All these studies concluded that the LD50 value is >2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3,3-Dimethyl-8,9-dinorbornan-2-one cannot be classified for acute dermal toxicity.

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 publication.

Qualifier:

according to guideline

Guideline:

other: As mentioned below

Principles of method if other than guideline:

Acute oral toxicity of 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) in rat.

GLP compliance:

not specified

Test type:

other: not specified

Limit test:

no

Specific details on test material used for the study:

- IUPAC Name: 3,3-Dimethyl-8,9-dinorbornan-2-one
- InChI: 1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
- Smiles: C[C@@]12CC[C@@H](C1)C(C)(C)C2 =O
- Name of test material:Fenchone
- Molecular formula:C10H16O
- Molecular weight:152.2354 g/mol
- Substance type:Organic

Species:

rat

Strain:

not specified

Sex:

not specified

Details on test animals or test system and environmental conditions:

not specified

Route of administration:

oral: unspecified

Vehicle:

unchanged (no vehicle)

Details on oral exposure:

not specified

Doses:

4400 mg/kg bw

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:

4 400 mg/kg bw

Based on:

test mat.

Remarks on result:

other: 50% mortality was observed at 4400 mg/kg bw

Mortality:

50% mortality was observed at 4400 mg/kg bw

Clinical signs:

other: not specified

Gross pathology:

not specified

Other findings:

not specified

Interpretation of results:

other: Not classified

Conclusions:

The acute oral LD50 value was considered to be 4400 mg/kg bw, when rats were treated with 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) via oral route.

Executive summary:

Acute oral toxicity study of 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) was conducted in rats at the concentration of 4400 mg/kg bw. 50% mortality was observed at 4400 mg/kg bw. Therefore, LD50 value was considered to be 4400 mg/kg bw, when rats were treated with 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) via oral route.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

4 400 mg/kg bw

Quality of whole database:

Data is Klimisch 2 and from publication.

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 publication.

Qualifier:

according to guideline

Guideline:

other: As mentioned below

Principles of method if other than guideline:

Acute Dermal toxicity of 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) in rabbit.

GLP compliance:

not specified

Test type:

other: not specified

Limit test:

no

Specific details on test material used for the study:

- IUPAC Name: 3,3-Dimethyl-8,9-dinorbornan-2-one
- InChI: 1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
- Smiles: C[C@@]12CC[C@@H](C1)C(C)(C)C2 =O
- Name of test material:Fenchone
- Molecular formula:C10H16O
- Molecular weight:152.2354 g/mol
- Substance type:Organic

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:

unchanged (no vehicle)

Details on dermal exposure:

not specified

Duration of exposure:

not specified

Doses:

5000 mg/kg bw

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 was observed

Mortality:

No mortality was observed at 5000 mg/kg bw

Clinical signs:

other: not specified

Gross pathology:

not specified

Other findings:

not specified

Interpretation of results:

other: Not classified

Conclusions:

The acute dermal LD50 value was considered to be >5000 mg/kg bw, when rabbits were treated with 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) by dermal application.

Executive summary:

Acute Dermal toxicity study of3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) was conducted in rabbits at the concentration of 5000 mg/kg bw. No mortality was observed at 5000 mg/kg bw. Therefore, LD50 value was considered to be >5000 mg/kg bw, when rabbits were treated with 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) by dermal application.

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 publication.

Additional information

Acute oral toxicity:

In different studies, 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) has been investigated for acute oral toxicity to a greater or lesser extent. Often are the studies based on in-vivo experiments in rodents, i.e. most commonly in rats and mice for 3,3-Dimethyl-8,9-dinorbornan-2-one along with the study available on structurally similar read across substances (1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one (CAS no: 4695-62-9)and 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane (CAS no: 470-82-6). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –

The experimental study conducted by Steven et al.(Weed Science, Vol. 44, No. 1, pp. 7-11, Jan. - Mar., 1996) was designed to determine acute oral toxicity of 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) in rats at the concentration of 4400 mg/kg bw. 50% mortality was observed at 4400 mg/kg bw. Therefore, LD50 value was considered to be 4400 mg/kg bw, when rats were treated with 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) via oral route.

The above study is supported by D. L. J. Opdyke (Food and Cosmetics Toxicology, Volume 14, Supplement, 1976, Pages 769-771) and Robert et al.(Essential Oil Safety (Second Edition), A Guide for Health Care Professionals, 2014, Pages 483–647) for acute oral toxicity of 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) in rats at the concentration of 6160 mg/kg bw. 50% mortality was observed at 6160 mg/kg bw. Therefore, LD50 value was considered to be 6160 mg/kg bw, when rats were treated with 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) via oral route.

These studies are also supported by Petros et al.(Regulated Chemicals Directory 1995, 2012) for the target chemical 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) to determine acute oral toxicity study in mice at the concentration of 12750 mg/kg bw. 50% mortality was observed at 12750 mg/kg bw. Therefore, LD50 value was considered to be 12750 mg/kg bw, when mice were treated with 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) via oral route.

All the above experimental studies are further supported by prediction done by SSS (2018) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5). The LD50 was estimated to be 2687 mg/kg bw, when 10 male and female Crj: CD(SD) rats were treated with 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) via oral gavage route.

All these experimental and prediction studies are further supported by different studies available on structurally similar read across substances. The studies are given below –

The study conducted by Jenner et al.(Food and Cosmetics Toxicology. Vol. 2 (Year 1964), page 327-343) and U.S. National Library of Medicine (ChemIDplus, 2017), for the structurally similar read across substance (1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one (CAS no: 4695-62-9) was conducted in Groups of 10 male and female Osborne-Mendel rats at the concentration of 6160 mg/kg (Range of 4400-8630mg/kg bw). All animals were maintained under close observation for recording toxic signs and time of death. Such observation was continued until animals appeared normal and showed weight gain. Animals were observed for general clinical signs. LD50's were computed by the method of Litchfield & Wilcoxon (1949). 50% mortality was observed at 6160 mg/kg bw within 4hr to 9 days of observation period. Clinical signs such as, depression, scrawny appearance, porphyrin-like deposit around eyes and nose for a week after treatment was observed in treated rats. Therefore, LD50 value was considered to be 6160 mg/kg bw, with 95% confidential limit of 4400-8630 mg/kg bw, when male and female Osborne-Mendel rats were treated with (1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one (CAS no: 4695-62-9) via oral gavage route.

This study is further supported by Jenner et al.(Food and Cosmetics Toxicology. Vol. 2 (Year 1964), page 327-343) and U.S. National Library of Medicine (ChemIDplus, 2017), for the structurally similar read across substance1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane (CAS no: 470-82-6) was conducted in Groups of 10 male and female Osborne-Mendel rats at the concentration of 2480 (Range of 2100-2930mg/kg bw). All animals were maintained under close observation for recording toxic signs and time of death. Such observation was continued until animals appeared normal and showed weight gain. Animals were observed for general clinical signs. LD50's were computed by the method of Litchfield & Wilcoxon (1949). 50% mortality was observed at 2480 mg/kg bw, within 2hr to 4 days of observation period. Depression, coma on high doses, scrawny appearance for 3-4 days was observed in animals which recovered within 7 days. Therefore, LD50 value was considered to be 2480 mg/kg bw, with 95% confidential limit of 2100-2930 mg/kg bw, when male and female Osborne-Mendel rats were treated with 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane (CAS no: 470-82-6) via oral gavage route.

Thus, based on the above studies on 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) and it’s read across substances, it can be concluded that LD50 value is >2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3,3-Dimethyl-8,9-dinorbornan-2-one cannot be classified for acute oral toxicity.

Acute Dermal toxicity:

In different studies, 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) has been investigated for acute dermal toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments in rodents, i.e. most commonly in rabbits for 3,3-Dimethyl-8,9-dinorbornan-2-one along with the study available on the structurally similar read across substances Exo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CAS no: 124-76-5) and 4-tert-Butylcyclohexanone (CAS no: 98-53-3). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –

The experimental study conducted by D. L. J. Opdyke (Food and Cosmetics Toxicology, Volume 14, Supplement, 1976, Pages 769-771) and Robert et al.(Essential Oil Safety (Second Edition), A Guide for Health Care Professionals, 2014, Pages 483–647) was designed to determine acute dermal toxicity of 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) in rabbits at the concentration of 5000 mg/kg bw. No mortality was observed at 5000 mg/kg bw. Therefore, LD50 value was considered to be >5000 mg/kg bw, when rabbits were treated with 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) by dermal application.

The above study is supported by prediction done by SSS (2018) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute dermal toxicity was estimated for 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5). The LD50 was estimated to be 3446 mg/kg bw, when 4 male New Zealand White rabbits were treated with 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) for 24 hours by dermal application occlusively.

These above experimental and prediction study is supported by D. L. J. Opdyke (Food and Cosmetics Toxicology, Vol. 17, Pg. 531, 1979) and U.S. National Library of Medicine (ChemIDplus, 2017), for the structurally similar read across substance Exo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CAS no: 124-76-5). Acute Dermal toxicity study was conducted in rabbits at the concentration of 5000 mg/kg bw. No mortality was observed at 5000 mg/kg bw. Therefore, LD50 value was considered to be >5000 mg/kg bw, when rabbits were treated with Exo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CAS no: 124-76-5) by dermal application.

All these studies are further supported by D. L. J. Opdyke (Food and Cosmetics Toxicology, Volume 13, Issue 6, 1975, Page 729), for the structurally similar read across substance 4-tert-Butylcyclohexanone (CAS no: 98-53-3). Acute Dermal toxicity study was conducted in rabbits at the concentration of 5000 mg/kg bw. 50% mortality was observed at 5000 mg/kg bw. Therefore, LD50 value was considered to be 5000 mg/kg bw, when rabbits were treated with 4-tert-Butylcyclohexanone (CAS no: 98-53-3) by dermal application.

Thus, based on the above studies on 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) and it’s read across substance, it can be concluded that LD50 value is >2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3,3-Dimethyl-8,9-dinorbornan-2-one cannot be classified for acute dermal toxicity.

Justification for classification or non-classification

Based on the above experimental studies and prediction on 3,3-Dimethyl-8,9-dinorbornan-2-one (CAS no: 1195-79-5) and it’s read across substances, it can be concluded that LD50 value is >2000 mg/kg bw for acute oral and dermal toxicity. Thus, comparing this value with the criteria of CLP regulation, 3,3-Dimethyl-8,9-dinorbornan-2-one cannot be classified for acute oral and dermal toxicity.