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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

In Acute oral toxicity,LD50 value for target substance 3-Octanol (589-98-0) was considered to be >5000 mg/kg bw ,and for differentstudies available on the similar read across substance Heptan-2-ol (543-49-7) was considered to be 2580 mg/kg bw and for 2-Octanol (123-96-6) was considered to be >3200 mg/kg bw. All these studies concluded that the LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3-Octanol (589-98-0) cannot be classified for acute oral toxicity.

Acute Dermal Toxicity:

In Acute dermal toxicity, LD50 value for target substance 3-Octanol (589-98-0) was considered to be >5000 mg/kg bw,and for differentstudies available on structurally similar read across substance Heptan-3-ol (589-82-2) was considered to be 4360 mg/kg bw and for 3-Pentanol (584-02-1) was considered to be 2520 mg/kg bw. All these studies concluded that the LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3-Octanol (589-98-0) 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:
key study
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: as mentioned below
Principles of method if other than guideline:
Acute Oral toxicity test was carried out to study the effects of 3-Octanol (589-98-0) on rats.
GLP compliance:
not specified
Test type:
other: no data available
Limit test:
no
Specific details on test material used for the study:
- Name of test material (IUPAC name): Octan-3-ol
- Common name: 3-Octanol
- Molecular formula: C8H18O
- Molecular weight: 130.229 g/mol
- Smiles notation: C([C@@H](CC)O)CCCC
- InChl: 1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
- Substance type: Organic
- Physical state: Colorless Liquid
Species:
rat
Strain:
not specified
Sex:
not specified
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:
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 dose 5000 mg/kg bw
Clinical signs:
other: No data available
Gross pathology:
No data available
Other findings:
No data available
Interpretation of results:
other: not classified
Conclusions:
The lethal concentration (LD50) value for acute oral toxicity test was considered to be >5000 mg/kg bw,when rats were treated with 3-Octanol (589-98-0) orally.
Executive summary:

Acute oral toxicity study was performed in rats using test material 3-Octanol (589-98-0).No mortality was observed at dose 5000 mg/kg bw. Hence,LD50 value was considered to be >5000 mg/kg bw,when rats were treated with 3-Octanol (589-98-0) 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:
key study
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: as mentioned below
Principles of method if other than guideline:
Acute dermal toxicity study of 3-Octanol (589-98-0) was performed in rabbits.
GLP compliance:
not specified
Test type:
other: no data available
Limit test:
no
Specific details on test material used for the study:
- Name of test material (as cited in study report):3-Octanol
- Molecular formula :C8H18O
- Molecular weight :130.229 g/mol
- Substance type:organic
- Physical state:Colorless Liquid
Species:
rabbit
Strain:
not specified
Sex:
not specified
Details on test animals or test system and environmental conditions:
No data available
Type of coverage:
other: dermal
Vehicle:
not specified
Details on dermal exposure:
No data available
Duration of 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:
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 dose 5000 mg/kg bw
Clinical signs:
other: No data available
Gross pathology:
No data available
Other findings:
No data available
Interpretation of results:
other: not classified
Conclusions:
The LD50 value was considered to be >5000 mg/kg bw,when rabbits were treated with 3-Octanol (589-98-0) by dermal application.
Executive summary:

In acute dermal toxicity study, rabbits were treated with 3-Octanol(589-98-0)in the concentration of 5000 mg/kg bw by dermal application.No mortality was observed in treated rabbits at dose 5000 mg/kg bw.Therefore, LD50 value was considered to be >5000 mg/kg bw,when rabbits were treated with 3-Octanol (589-98-0)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 peer-reviewed journal

Additional information

Acute Oral Toxicity: 

In different studies, 3-Octanol (589-98-0) has been investigated for acute oral toxicity to a greater or lesser extent. Often the studies are based on in vivo experimental data in rodents, i.e. most commonly in rats for 3-Octanol (589-98-0) along with the study available on the structurally similar read across substance Heptan-2-ol (543-49-7) and 2-Octanol (123-96-6). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –

In experimental study conducted by D. L. J. Opdyke (Food and Cosmetics Toxicology,Volume 17, Supplement, December 1979, Page 881); John Wiley & Sons (Patty's Toxicology,Sixth edition,Volume 1,Pg.11,2012); U.S. National Library of Medicine (Chemidplus Database,U.S. National Library of Medicine,2017); Robert Tisserand and Rodney Young (Essential Oil Safety:A Guide for Health Care Professionals,Second Edition,2014); R.H. Lindecrona et. al.(Food and Chemical Toxicology 41 (2003) 647–654) andRTECS(RTECS (registry of toxic effect of chemical substance database), 2018) for the target substance3-Octanol (589-98-0). Acute oral toxicity study was performed in rats using test material 3-Octanol (589-98-0).No mortality was observed at dose 5000 mg/kg bw. Hence,LD50 value was considered to be >5000 mg/kg bw,when rats were treated with 3-Octanol (589-98-0) orally.

Also these results are further supported by the experimental study conducted by U.S. National Library of Medicine (Chemidplus Database,U.S. National Library of Medicine,2017); IFA GESTIS(Gestis Substance Database ,2018) andRTECS(RTECS (registry of toxic effect of chemical substance database), 2018)for the structurally similar read across substance Heptan-2-ol (543-49-7). Acute oral toxicity study was performed in rats using test material Heptan-2-ol (543-49-7).50% mortality was observed at dose 2580 mg/kg bw. Hence,LD50 value was considered to be 2580 mg/kg bw,when rats were treated with Heptan-2-ol (543-49-7)orally.

This is further supported by US national Library of Medicine (HSDB (Hazardous Substances Data Bank); US national Library of Medicine,2018) and John Wiley & Sons (Patty's Toxicology,Sixth edition,Volume 1,Pg.10-11,2012) for the structurally similar read across substance2-Octanol (123-96-6). Acute oral toxicity study was performed in rats using test material 2-Octanol(123-96-6).50% mortality was observed at dose 3200 mg/kg bw. Hence,LD50 value was considered to be >3200 mg/kg bw,when rats were treated with 2-Octanol (123-96-6) orally.

Thus, based on the above studies on 3-Octanol (589-98-0) and it’s structurally similar read across substances Heptan-2-ol (543-49-7) and 2-Octanol (123-96-6), it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3-Octanol (589-98-0) cannot be classified for acute oral toxicity.

Acute Dermal Toxicity:

In different studies, 3-Octanol (589-98-0) has been investigated for acute dermal toxicity to a greater or lesser extent. Often the studies are based on in vivo experimental data in rodents, i.e. most commonly in rabbits for 3-Octanol (589-98-0) along with the study available on structurally similar read across substance Heptan-3-ol (589-82-2) and 3-Pentanol (584-02-1).The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –

In experimental study conducted by D. L. J. Opdyke (Food and Cosmetics Toxicology,Volume 17, Supplement, December 1979, Page 881); John Wiley & Sons (Patty's Toxicology,Sixth edition,Volume 1,Pg.11,2012); U.S. National Library of Medicine (Chemidplus Database,U.S. National Library of Medicine,2017); Robert Tisserand and Rodney Young (Essential Oil Safety:A Guide for Health Care Professionals,Second Edition,2014);Anne Korpi et. al. (Critical Reviews in Toxicology, Volume 39, 2009 - Issue 2, Pages 139-193);RTECS(RTECS (registry of toxic effect of chemical substance database), 2018) and Anne Korpi et. al.(The Nordic Expert Group for Criteria Documentation of Health Risks from Chemicals 138. Microbial volatile organic compounds (MVOCs),nr 2006:13,2007) for the target substance3-Octanol (589-98-0). In acute dermal toxicity study, rabbits were treated with 3-Octanol(589-98-0)in the concentration of 5000 mg/kg bw by dermal application.No mortality was observed in treated rabbits at dose 5000 mg/kg bw.Therefore, LD50 value was considered to be >5000 mg/kg bw,when rabbits were treated with 3-Octanol (589-98-0)by dermal application.  

 

Also these results are further supported by the experimental study conducted by U.S. National Library of Medicine (Chemidplus Database,U.S. National Library of Medicine,2017) for the structurally similar read across substance Heptan-3-ol (589-82-2). In acute dermal toxicity study, rabbits were treated with Heptan-3-ol(589-82-2) in the concentration of 4320 mg/kg bw by dermal application.50% mortality was observed in treated rabbits at dose 4320 mg/kg bw.Therefore, LD50 value was considered to be 4320 mg/kg bw,when rabbits were treated withHeptan-3-ol(589-82-2)by dermal application.  

 

This is further supported by US national Library of Medicine (HSDB (Hazardous Substances Data Bank); US national Library of Medicine,2018); IFA GESTIS(Gestis Substance Database ,2018) andRTECS(RTECS (registry of toxic effect of chemical substance database), 2018)for the structurally similar read across substance 3-Pentanol (584-02-1). In acute dermal toxicity study, rabbits were treated with 3-Pentanol(584-02-1) in the concentration of 2520 mg/kg bw by dermal application.50% mortality was observed in treated rabbits at dose 2520 mg/kg bw.Therefore, LD50 value was considered to be 2520 mg/kg bw,when rabbits were treated with 3-Pentanol(584-02-1) by dermal application.  

 

Thus, based on the above studies on 3-Octanol (589-98-0) and it’s structurally similar read across substances Heptan-3-ol (589-82-2) and 3-Pentanol (584-02-1), it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3-Octanol (589-98-0) cannot be classified for acute dermal toxicity.

Justification for classification or non-classification

Based on the above experimental studies and prediction on 3-Octanol (589-98-0) and it’s structurally similar read across substances Heptan-2-ol (543-49-7); 2-Octanol (123-96-6);Heptan-3-ol (589-82-2) and 3-Pentanol (584-02-1), it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3-Octanol (589-98-0) cannot be classified for acute oral and dermal toxicity.