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EC number: 209-667-4 | CAS number: 589-98-0
- 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
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
- 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.
Reference
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
- 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.
Reference
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.
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