Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
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
Skin Irritation:
3-octanol was irritating to rabbit skin after 24 hours exposure.
Eye Irritation:
The ocular irritation potential of Octan-3-ol was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor.
Octan-3-ol was estimated to be irritating to the eyes of rabbits.
Based on the estimated result; Octan-3-ol can be considered irritating to the eyes and can be classified under the category “Category 2” as per CLP regulation.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- 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 journals and hasndbooks
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- To assess the irritation potential of 3-octanol in rabbits
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: 3-Octanol
- IUPAC name: Octan-3-ol
- Molecular formula: C8H18O
- Molecular weight: 130.229 g/mole
- 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:
- rabbit
- Strain:
- not specified
- Details on test animals or test system and environmental conditions:
- no data available
- Type of coverage:
- occlusive
- Preparation of test site:
- other: intact and abraded
- Vehicle:
- unchanged (no vehicle)
- Controls:
- not specified
- Amount / concentration applied:
- 100% undiluted
- Duration of treatment / exposure:
- 24 hours
- Observation period:
- 24 hours
- Number of animals:
- no data available
- Details on study design:
- no data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 24 h
- Reversibility:
- not specified
- Remarks on result:
- positive indication of irritation
- Irritant / corrosive response data:
- Moderately irritating to skin
- Interpretation of results:
- Category 2 (irritant) based on GHS criteria
- Conclusions:
- 3-octanol was irritating to rabbit skin after 24 hours exposure.
- Executive summary:
A skin irritation study was performed in rabbits to assess the irritation potential of 3-octanol. 3-octanol was applied undiluted to the intact and abraded skin of rabbits under occlusion. The rabbits were observed for signs of irritation till 24 hours. 3-octanol was irritating to rabbit skin after 24 hours exposure.
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- data is from OECD QSAR toolbox v3.3 and the QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: 3-Octanol
- IUPAC name: Octan-3-ol
- Molecular formula: C8H18O
- Molecular weight: 130.229 g/mole
- 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:
- rabbit
- Strain:
- not specified
- Details on test animals or tissues and environmental conditions:
- no data available
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- 0.1 ml
- Duration of treatment / exposure:
- 72 hours
- Observation period (in vivo):
- 21 days
- Duration of post- treatment incubation (in vitro):
- no data available
- Number of animals or in vitro replicates:
- 3
- Details on study design:
- no data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 21 d
- Reversibility:
- not specified
- Remarks on result:
- positive indication of irritation
- Irritant / corrosive response data:
- signs of irritation observed
- Interpretation of results:
- Category 2 (irritating to eyes) based on GHS criteria
- Conclusions:
Octan-3-ol was estimated to be irritating to the eyes of rabbits.- Executive summary:
The ocular irritation potential of Octan-3-ol was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor.
Octan-3-ol was estimated to be irritating to the eyes of rabbits.
Based on the estimated result; Octan-3-ol can be considered irritating to the eyes and can be classified under the category “Category 2” as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 7 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((((((((((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and "o" )
and ("p"
and (
not "q")
)
)
and ("r"
and (
not "s")
)
)
and "t" )
and "u" )
and "v" )
and ("w"
and (
not "x")
)
)
and ("y"
and (
not "z")
)
)
and ("aa"
and (
not "ab")
)
)
and ("ac"
and (
not "ad")
)
)
and ("ae"
and (
not "af")
)
)
and ("ag"
and (
not "ah")
)
)
and "ai" )
and ("aj"
and (
not "ak")
)
)
and ("al"
and (
not "am")
)
)
and ("an"
and "ao" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Alcohol AND Hydroxy compound AND
Secondary alcohol by Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Hydroxy,
aliphatic attach [-OH] by Organic functional groups (US EPA)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Alcohol by Organic Functional
groups (nested)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Alcohol by Organic Functional
groups
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >>
Isocyanates and Isothiocyanates OR Acylation >> Isocyanates and
Isothiocyanates >> Isocyanates OR Michael addition OR Michael addition
>> P450 Mediated Activation to Quinones and Quinone-type Chemicals OR
Michael addition >> P450 Mediated Activation to Quinones and
Quinone-type Chemicals >> Arenes OR Michael addition >> P450 Mediated
Activation to Quinones and Quinone-type Chemicals >> Hydroquinones OR
Michael addition >> Polarised Alkenes-Michael addition OR Michael
addition >> Polarised Alkenes-Michael addition >> Alpha, beta-
unsaturated amides OR Michael addition >> Polarised Alkenes-Michael
addition >> Alpha, beta- unsaturated esters OR Michael addition >>
Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones
OR Schiff base formers OR Schiff base formers >> Chemicals Activated by
P450 to Glyoxal OR Schiff base formers >> Chemicals Activated by P450
to Glyoxal >> Ethanolamines (including morpholine) OR Schiff base
formers >> Chemicals Activated by P450 to Glyoxal >> Ethylenediamines
(including piperazine) OR Schiff base formers >> Direct Acting Schiff
Base Formers OR Schiff base formers >> Direct Acting Schiff Base Formers
>> Mono aldehydes OR SN1 OR SN1 >> Iminium Ion Formation OR SN1 >>
Iminium Ion Formation >> Aliphatic tertiary amines OR SN1 >> Nitrenium
Ion formation OR SN1 >> Nitrenium Ion formation >> Aromatic azo OR SN1
>> Nitrenium Ion formation >> Aromatic nitro OR SN1 >> Nitrenium Ion
formation >> Primary (unsaturated) heterocyclic amine OR SN1 >>
Nitrenium Ion formation >> Primary aromatic amine OR SN1 >> Nitrenium
Ion formation >> Secondary aromatic amine OR SN1 >> Nitrenium Ion
formation >> Tertiary aromatic amine OR SN2 OR SN2 >> Direct Acting
Epoxides and related OR SN2 >> Direct Acting Epoxides and related >>
Epoxides OR SN2 >> SN2 at an sp3 Carbon atom OR SN2 >> SN2 at an sp3
Carbon atom >> Aliphatic halides OR SN2 >> SN2 at an sp3 Carbon atom >>
Phosphates OR SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates by DNA
binding by OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Carbamoylation
after isocyanate formation OR AN2 >> Carbamoylation after isocyanate
formation >> N-Hydroxylamines OR AN2 >> Schiff base formation by
aldehyde formed after metabolic activation OR AN2 >> Schiff base
formation by aldehyde formed after metabolic activation >> Geminal
Polyhaloalkane Derivatives OR AN2 >> Shiff base formation for aldehydes
OR AN2 >> Shiff base formation for aldehydes >> Geminal Polyhaloalkane
Derivatives OR Non-covalent interaction OR Non-covalent interaction >>
DNA intercalation OR Non-covalent interaction >> DNA intercalation >>
DNA Intercalators with Carboxamide Side Chain OR Radical OR Radical >>
Generation of reactive oxygen species OR Radical >> Generation of
reactive oxygen species >> Thiols OR Radical >> Radical mechanism by ROS
formation (indirect) or direct radical attack on DNA OR Radical >>
Radical mechanism by ROS formation (indirect) or direct radical attack
on DNA >> Organic Peroxy Compounds OR Radical >> Radical mechanism via
ROS formation (indirect) OR Radical >> Radical mechanism via ROS
formation (indirect) >> Geminal Polyhaloalkane Derivatives OR Radical >>
Radical mechanism via ROS formation (indirect) >> N-Hydroxylamines OR
SN1 OR SN1 >> Nucleophilic attack after metabolic nitrenium ion
formation OR SN1 >> Nucleophilic attack after metabolic nitrenium ion
formation >> N-Hydroxylamines OR SN2 OR SN2 >> Acylation involving a
leaving group OR SN2 >> Acylation involving a leaving group >> Geminal
Polyhaloalkane Derivatives OR SN2 >> Acylation involving a leaving group
after metabolic activation OR SN2 >> Acylation involving a leaving group
after metabolic activation >> Geminal Polyhaloalkane Derivatives OR SN2
>> DNA alkylation OR SN2 >> DNA alkylation >> Alkylphosphates,
Alkylthiophosphates and Alkylphosphonates OR SN2 >> Nucleophilic
substitution at sp3 carbon atom after thiol (glutathione) conjugation OR
SN2 >> Nucleophilic substitution at sp3 carbon atom after thiol
(glutathione) conjugation >> Geminal Polyhaloalkane Derivatives by DNA
binding by OASIS v.1.3
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Non binder, non cyclic structure
by Estrogen Receptor Binding
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group OR Non binder, MW>500 OR Non binder, without OH or NH2 group OR
Strong binder, OH group OR Very strong binder, OH group OR Weak binder,
OH group by Estrogen Receptor Binding
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.3
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Ester
aminolysis OR Acylation >> Ester aminolysis >> Amides OR Nucleophilic
addition OR Nucleophilic addition >> Addition to carbon-hetero double
bonds OR Nucleophilic addition >> Addition to carbon-hetero double bonds
>> Ketones OR SN2 OR SN2 >> SN2 Reaction at a sp3 carbon atom OR SN2 >>
SN2 Reaction at a sp3 carbon atom >> Activated alkyl esters and
thioesters by Protein binding by OASIS v1.3
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Not known precedent reproductive
and developmental toxic potential by DART scheme v.1.0
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Alkoxy propanol derivatives OR
Alkyl amide, urea, thiourea, nitroso urea, carbonate, guanidine and
carbamate derivatives (21b1) OR Alkyl amide, urea, thiourea, nitroso
urea, carbonate, guanidine and carbamate derivatives (21b1) >>
Alkylamide or thioamide analogs OR Alpha-hydroxy and alkoxyacetic acid
derivatives (22b) OR Beta alkyl substituted alcohols- sub category (25b)
OR C1 to C4 non-branched alkyl alcohols- sub category (25a) OR
Di-substituted hydrocarbons (24a) OR Di-substituted hydrocarbons (24b)
OR Di-substituted hydrocarbons (24c) OR Known precedent reproductive and
developmental toxic potential OR Metal atoms were identified OR
Multi-halogenated alkyl ethers (23b) OR Not covered by current version
of the decision tree OR Organophosphorus compounds (1b) by DART scheme
v.1.0
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Alkali Earth OR Halogens OR
Metals OR Transition Metals by Groups of elements
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 16
- Oxygen O by Chemical elements
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Group 15 - Nitrogen N OR Group
16 - Sulfur S by Chemical elements
Domain
logical expression index: "t"
Similarity
boundary:Target:
CCCCCC(O)CC
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "u"
Similarity
boundary:Target:
CCCCCC(O)CC
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "v"
Similarity
boundary:Target:
CCCCCC(O)CC
Threshold=50%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Inclusion rules not met by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Ethylenglycolethers by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group C Surface Tension > 62 mN/m
by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Group C Vapour Pressure < 0.0001
Pa by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as No alert found by in vivo
mutagenicity (Micronucleus) alerts by ISS
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as H-acceptor-path3-H-acceptor by
in vivo mutagenicity (Micronucleus) alerts by ISS
Domain
logical expression index: "ac"
Referential
boundary: The
target chemical should be classified as Aliphatic monoalcohols by Eye
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "ad"
Referential
boundary: The
target chemical should be classified as Inclusion rules not met by Eye
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "ae"
Referential
boundary: The
target chemical should be classified as No alert found by
Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "af"
Referential
boundary: The
target chemical should be classified as Structural alert for
nongenotoxic carcinogenicity OR Substituted n-alkylcarboxylic acids
(Nongenotox) by Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "ag"
Referential
boundary: The
target chemical should be classified as Aliphatic alcohol [-OH] AND
-CH- [linear] AND -CH2- [linear] AND Methyl [-CH3] by Biodegradation
fragments (BioWIN MITI)
Domain
logical expression index: "ah"
Referential
boundary: The
target chemical should be classified as -C=CH [alkenyl hydrogen] OR
Carbon with 4 single bonds & no hydrogens by Biodegradation fragments
(BioWIN MITI)
Domain
logical expression index: "ai"
Referential
boundary: The
target chemical should be classified as Fast by Bioaccumulation -
metabolism half-lives ONLY
Domain
logical expression index: "aj"
Referential
boundary: The
target chemical should be classified as Canada DSL AND ECHA PR AND
EINECS AND METI Japan AND NICNAS AND REACH ECB AND TSCA by Inventory
Affiliation
Domain
logical expression index: "ak"
Referential
boundary: The
target chemical should be classified as (N/A) by Inventory Affiliation
Domain
logical expression index: "al"
Referential
boundary: The
target chemical should be classified as Aquatic OASIS AND ECOTOX AND
Phys-chem EPISUITE by Database Affiliation
Domain
logical expression index: "am"
Referential
boundary: The
target chemical should be classified as Aquatic Japan MoE by Database
Affiliation
Domain
logical expression index: "an"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 1.82
Domain
logical expression index: "ao"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.79
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin Irritation:
In different studies, 3-octanol has been investigated for potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits, humans along with predicted data for target chemical and its structurally similar read across chemicals,2-ethylhexyl alcohol[CAS: 104-76-7] and Hexan-1-ol[CAS: 111-27-3].The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
Various studies for 3-octanol were summarized Food and Cosmetics Toxicology,Volume 17, Supplement, December 1979, Page 881; to assess the dermal irritation potential in humans and rabbits.
3-octanol applied at full strength to intact or abraded rabbit skin underocclusion was irritating after 24 hours exposure. Also, when tested on 29 human subjects at 12% in petrolatum in a 48-hr closed-patch test,3-octanol produced no irritation.
In a prediction done by SSS (2018) using the OECD QSAR toolbox v3.3 with log kow as the primary descriptor, the dermal irritation potential was estimated for 3 -octanol. 3-octanol was estimated to be irritating to the skin of rabbits.
The limit concentrations for skin irritation of 3-octanol was determined by G. Jacobs et.al (REGULATORY TOXICOLOGY AND PHARMACOLOGY, 7,370-378, (1987)) by testing five different dilutions ranging from undiluted (100%) to 5% in rabbits. The study was performed according to the procedures mentioned in Annexes V and VI, part IID, of Directive 79/83 l/EEC.5-6 adult Male and female New Zealand White or White of Dendermont albino rabbits were used for the study. The dorsolumbar zone was shaved 7 days before the test at both sides of the spinal column.
The limit concentrations for skin irritation of the chemical substances selected were obtained by testing five different dilutions ranging from undiluted (100%) to 5%. The highest tested concentration at which the substance is not considered an irritant to the skin according to the criteria laid out in Annex VI, part IID, of Directive 79/83 1/EEC is regarded as the limit concentration. The first concentration to be applied was selected on the basis of existing literature data.
0.5 ml dilutions of the test substances in PEG 400were applied onto the shaved skin of rabbits by means of a modified Finn chamber for 4 hours. The dilutions of the test substances used were 50, 25, 10, and 5% by weight. At the other site of the spinal column an exposure chamber containing 0.5 ml of the control vehicle was applied. The untreated skin was also used as a control. Afterward the exposure chamber was removed and the skin cleaned. Reading of erythema and edema was performed according to the scale of Draize at 1, 24, 48, and 72 hr after the removal of the patch.
The Limit dose concentration of 3-octanol was obtained at 50% w/w.
Polyethyleneglycol MW 400 when tested according to the above test procedures was determined to be not irritating to skin.
According to definition of limit dose, 3-octanol was considered to be not irritating to skin at the highest dose tested.
R. A. SCALA & E. G. BURTIS (American Industrial Hygiene Association Journal, (1973), 34:11, 493-499) performed acute dermal irritation studies on the structurally similar read across chemicals,2-ethylhexyl alcohol[CAS: 104-76-7] and Hexan-1-ol[CAS: 111-27-3]to ascertain the degree of dermal irritation caused by them. Hexan-1-ol was applied full-strength to the closely clipped, intact abdominal skin of albino rabbits in groups of four. The exposed area was covered with an occlusive binding of dental damming for 24 hours. After the exposure, the binding was removed, and the remaining material, if any, was cleaned from the skin. The animals were housed individually with feed and water freely available. No mechanical restraints were used. Observations for dermal irritation were made on a daily basis. Gross necropsies were performed at the end of the experiments. Grading scale was slight-moderate-marked and severe.
The signs of irritation observed in the rabbits after dosing with 2-ethylhexyl alcohol[CAS: 104-76-7] and Hexan-1-ol[CAS: 111-27-3]were slight to moderate erythema, slight to moderate edema, as well as atonia, blanching, desquamation and eschar formation. These signs persisted till the termination of the study.
Based on these findings, 2-ethylhexyl alcohol[CAS: 104-76-7] and Hexan-1-ol[CAS: 111-27-3] were considered to be moderately irritating to rabbit skin.
Even though results from the human and rabbit study claim that 3-octanol was not irritating to skin, but in those studies 3-octanol was used in diluted form. Whereas results from another rabbit study indicate a possibility of 3-octanol being irritating to skin when used undiluted. Hence, it can be suggested that undiluted 3-octanol causes irritation to skin.
Hence based on the available data for the target and structure similar read chemicals, applying the weight of evidence approach,3-octanol was considered to be irritating to skin.Comparing the above annotations with the criteria of CLP regulation, test chemical can be classified under the category “Category 2”.
Eye Irritation:
In different studies,3-octanol has been investigated for potential for ocular irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits along with predicted data for target chemical and its structurally similar read across chemicals,2-ethylhexyl alcohol[CAS: 104-76-7] and Hexan-1-ol[CAS: 111-27-3].The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
In a prediction done by SSS (2018) using the OECD QSAR toolbox v3.3 with log kow as the primary descriptor, the ocular irritation potential was estimated for 3 -octanol. 3-octanol was estimated to be irritating to the eyes of rabbits.
R. A. SCALA & E. G. BURTIS( American Industrial Hygiene Association Journal, (1973), 34:11, 493-499) performed acute eye irritation studies on the structurally similar read across chemicals,2-ethylhexyl alcohol[CAS: 104-76-7] and Hexan-1-ol[CAS: 111-27-3]to ascertain the degree of ocular irritation caused by them. A single application of 0.1 ml of undiluted alcohol was made into the conjunctival sac of the left eye of each of six rabbits. The untreated eye served as the control. The treated eye was closed for 30 seconds and eyes were not washed. Observations for irritancy and possible systemic toxicity were made at 1, 4, and 24 hours and at 2, 3, 4, and 7 days. Where positive effects persisted, observations were continued initially and at termination the eyes were examined following instillation of 2 % sodium fluorescein solution to detect any corneal lesions if not otherwise visible. Signs of irritation exposure were graded and scored according to the method of Draize.
In case of 2-ethylhexyl alcohol[CAS: 104-76-7], Persistent widespread corneal opacity was observed till 7 days in the rabbits. The median scores were 19, 20 and 0 at 24 hours, 72 hours and day 7 respectively. Hence, 2-ethylhexyl alcohol was considered to be severely irritating to rabbit eyes. Whereas Hexan-1-ol caused severe irritation involving all eye structures. Persistent iritis, corneal opacity and in two animals, corneal vascularization were observed which led to the rating of severe irritation.
Hence, Hexan-1-ol was considered to be severely irritating to rabbit eyes.
The above results are supported by the experimental study summarized in SAX (Sax's Handbook of Dangerous Industrial Materials):- Archives of Industrial Hygiene and Occupational Medicine; 1951, 4, 119; for thestructurally similar read across chemical, Hexan-1-ol[CAS: 111-27-3]. 250 g of hexan-1-ol instilled into rabbit eye and effects were observed till 72 hours and reactions were scored. The maximum score was 10. Scores over 5 were considered to cause severe eye injury. Hexan-1-ol was graded 9/10 after 72 hours.
Based on the scores, Hexan-1-ol can be considered as a severe eye irritant with a possibility to cause injury to rabbit eyes.
Based on the available data for the target as well as read across chemicals and applying the weight of evidence approach,3-octanol was irritating to eyes.Comparing the above annotations with the criteria of CLP regulation, test chemical can be classified under the category “Category 2”.
Justification for classification or non-classification
Available data for Octan-3-ol indicates that it is likely to cause irritation or corrosion to eyes and skin.
Hence, Octan-3-ol can be classified under the category “Category 2” for skin and eye irritation as per CLP regulation.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.