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3-octanol

Chemical Structure

General Material Information

Preferred name 3-octanol
Trivial Name 3-Octanol
Short Description octan-3-ol
Formula C8 H18 O
CAS Number 589-98-0
Deleted CAS Number 20296-29-1
FEMA Number 3581
Flavis Number 2.098
ECHA Number 209-667-4
FDA UNII 73DZ0U3U1E
Nikkaji Number J43.433G
Beilstein Number 1719310
MDL MFCD00004590
COE Number 11715
NMR Predictor External link
JECFA Food Flavoring 291 3-octanol
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 589-98-0 ; 3-OCTANOL
Synonyms
  • amyl ethyl carbinol
  • N- amyl ethyl carbinol
  • amylethylcarbinol
  • ethyl amyl carbinol
  • ethyl amyl carbinol (ex mint)
  • 1-ethyl hexanol
  • ethyl N-amyl carbinol
  • ethyl N-pentyl carbinol
  • ethyl pentyl carbinol
  • 1-ethyl-hexanol
  • ethyl-N-amyl carbinol
  • ethyl-n-amylcarbinol
  • ethylamylcarbinol
  • ethylhexanol
  • 1-ethylhexanol
  • octan-3-ol
  • (1)- octan-3-ol
  • N- octan-3-ol
  • 3 octanol
  • D- octanol
  • dextro-N- octanol
  • DL-3-octanol
  • 3-octanol (natural)
  • octanol 3
  • 3-octanol natural
  • octanol-3
  • ottan-3-olo
  • n-Octan-3-ol
  • 1-Ethyl-1-hexanol
  • (±)-3-Octanol
  • DL-3-Octanol

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

octan-3-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:589-98-0
Pubchem (cid):11527
Pubchem (sid):134976731
Flavornet:589-98-0
Pherobase:View
Publications by PubMed
Attraction of Callosobruchus maculatus (F.) (Coleoptera: Bruchidae) to four varieties of Lathyrus sativus L. seed volatiles.
HS/GC-MS analyzed chemical composition of the aroma of fruiting bodies of two species of genus Lentinus (Higher Basidiomycetes).
Arachidonic acid-dependent carbon-eight volatile synthesis from wounded liverwort (Marchantia polymorpha).
Studies on volatile organic compounds of some truffles and false truffles.
Manipulation of flavour and aroma compound sequestration and release using a glycosyltransferase with specificity for terpene alcohols.
Generalization and discrimination tasks yield concordant measures of perceived distance between odours and their binary mixtures in larval Drosophila.
Copper-organic frameworks assembled from in situ generated 5-(4-pyridyl)tetrazole building blocks: synthesis, structural features, topological analysis and catalytic oxidation of alcohols.
(R)-(-)-Quinuclidin-3-ol.
Anti-inflammatory and antinociceptive action of an orally available nociceptin receptor agonist SCH 221510 in a mouse model of inflammatory bowel diseases.
The biology of Nociceptin/Orphanin FQ (N/OFQ) related to obesity, stress, anxiety, mood, and drug dependence.
Potential aromatic compounds as markers to differentiate between Tuber melanosporum and Tuber indicum truffles.
Effects of spinally administered bifunctional nociceptin/orphanin FQ peptide receptor/μ-opioid receptor ligands in mouse models of neuropathic and inflammatory pain.
Olfactory memories are intensity specific in larval Drosophila.
Regulating cough through modulation of sensory nerve function in the airways.
Multiple headspace-solid-phase microextraction: an application to quantification of mushroom volatiles.
Essential oils and their compositions as spatial repellents for pestiferous social wasps.
The novel antiangiogenic VJ115 inhibits the NADH oxidase ENOX1 and cytoskeleton-remodeling proteins.
Roles of μ-opioid receptors and nociceptin/orphanin FQ peptide receptors in buprenorphine-induced physiological responses in primates.
Two identical nonylphenol monooxygenase genes linked to IS6100 and some putative insertion sequence elements in Sphingomonas sp. NP5.
Volatile constituents of Origanum vulgare L., 'thymol' chemotype: variability in North India during plant ontogeny.
A combined perceptual, physico-chemical, and imaging approach to 'odour-distances' suggests a categorizing function of the Drosophila antennal lobe.
Olfactory cues from plants infected by powdery mildew guide foraging by a mycophagous ladybird beetle.
(1RS,2RS,3SR,5RS,7RS)-2,5-Dichloro-8-oxabicyclo-[5.1.0]octan-3-ol.
8-Carbon oxylipins inhibit germination and growth, and stimulate aerial conidiation in Aspergillus nidulans.
A behavioral odor similarity "space" in larval Drosophila.
Antioxidant Activity of the Essential Oil and Methanolic Extract of Teucrium orientale (L.) subsp. taylori (Boiss.) Rech. f.
Adaptive adjustment of the generalization-discrimination balance in larval Drosophila.
Identification of two novel metabolites of SCH 486757, a nociceptin/orphanin FQ peptide receptor agonist, in humans.
Neurotoxicity of fungal volatile organic compounds in Drosophila melanogaster.
Inhibition of predator attraction to kairomones by non-host plant volatiles for herbivores: a bypass-trophic signal.
Pharmacological profile of the NOP agonist and cough suppressing agent SCH 486757 (8-[Bis(2-Chlorophenyl)Methyl]-3-(2-Pyrimidinyl)-8-Azabicyclo[3.2.1]Octan-3-Ol) in preclinical models.
Odour intensity learning in fruit flies.
Indolyl-quinuclidinols inhibit ENOX activity and endothelial cell morphogenesis while enhancing radiation-mediated control of tumor vasculature.
Aroma-active components of Lycii fructus (kukija).
Effect of Agave tequilana age, cultivation field location and yeast strain on tequila fermentation process.
Specificity and redundancy in the olfactory system of the bark beetle Ips typographus: single-cell responses to ecologically relevant odors.
Use of headspace SPME-GC-MS for the analysis of the volatiles produced by indoor molds grown on different substrates.
Structure-activity relationships for a novel series of dopamine D2-like receptor ligands based on N-substituted 3-aryl-8-azabicyclo[3.2.1]octan-3-ol.
Screening of cider yeasts for sparkling cider production (Champenoise method).
Induction of conidiation by endogenous volatile compounds in Trichoderma spp.
The anxiolytic-like effects of the novel, orally active nociceptin opioid receptor agonist 8-[bis(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol (SCH 221510).
Green procedure for the preparation of scented alcohols from carbonyl compounds.
Correlation between the pattern volatiles and the overall aroma of wild edible mushrooms.
Host recognition by the specialist hoverfly Microdon mutabilis, a social parasite of the ant Formica lemani.
Simultaneous determination of gasoline oxygenates and benzene, toluene, ethylbenzene and xylene in water samples using headspace-programmed temperature vaporization-fast gas chromatography-mass spectrometry.
rac-(Z)-2-(2-Thienylmethylene)-1-azabicyclo[2.2.2]octan-3-ol.
Reversal phenomenon of reaction velocity in a mixed reaction system: silylations between simple alcohols and alpha- or beta-hydroxyketones using anilinosilanes and catalytic TBAF agent.
Differentiation of aroma characteristics of pine-mushrooms (Tricholoma matsutake Sing.) of different grades using gas chromatography-olfactometry and sensory analysis.
Novel chemical enhancers of heat shock increase thermal radiosensitization through a mitotic catastrophe pathway.
Characterization of aroma-active compounds in raw and cooked pine-mushrooms (Tricholoma matsutake Sing.).
Difference in the volatile composition of pine-mushrooms (Tricholoma matsutake Sing.) according to their grades.
Bioremediation of groundwater contaminated with gasoline hydrocarbons and oxygenates using a membrane-based reactor.
Structural characterization of interfacial n-octanol and 3-octanol using molecular dynamic simulations.
Volatile constituents of Semnostachya menglaensis Tsui.
A new technological approach proposed for distillate production using immobilized cells.
Feeding response to host and nonhost compounds by males and females of the spruce bark beetle Ips typographus in a tunneling microassay.
Volatile compounds of Aspergillus strains with different abilities to produce ochratoxin A.
[Studies on the chemical constituents of the volatiles of Clerodendron bungei].
The role of volatile semiochemicals in mediating host location and selection by nuisance and disease-transmitting cattle flies.
(Z)-2-(1-Phenylsulfonyl-1H-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one and (Z)-(S)-2-(1-phenylsulfonyl-1H-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-ol.
Supramolecular recognition and structural elucidation of inclusion complexes of an achiral carbene precursor in beta- and permethylated beta-cyclodextrin.
Two isomers of 2,4-dibenzyl-8-azabicyclo[3.2.1]octan-3-ol.
Modulation of selective serotonin reuptake inhibitor and 5-HT1A antagonist activity in 8-aza-bicyclo[3.2.1]octane derivatives of 2,3-dihydro-1,4-benzodioxane.
Subchronic oral toxicity study on the three flavouring substances: octan-3-ol, 2-methylcrotonic acid and oct-3-yl 2-methylcrotonate in Wistar rats.
Grape and apple wines volatile fermentation products and possible relation to spoilage.
Comparison of volatile compound production in fruit body and in mycelium of Pleurotus ostreatus identified by submerged and solid-state cultures.
Solvent selection for solid-to-solid synthesis.
Solvent effect on ion-pair extraction of 2-(2-pyridylazo)-1-naphthol-4-sulfonate anion with solvated hydroxonium ion using alcohols and 1-octanol/octane mixed solvents.
Determination of selected microbial volatile organic compounds by diffusive sampling and dual-column capillary GC-FID--a new feasible approach for the detection of an exposure to indoor mould fungi?
Olfactory responses of Ips duplicatus from inner Mongolia, China to nonhost leaf and bark volatiles.
Biodegradation of tert-butyl alcohol and related xenobiotics by a methylotrophic bacterial isolate.
Continuous wine making by gamma-alumina-supported biocatalyst: quality of the wine and distillates.
Oxidative cleavage of the octyl side chain of 1-(3,4-dichlorobenzyl)-5-octylbiguanide (OPB-2045) in rat and dog liver preparations.
trans,trans-2,4-decadienal-induced 1,N(2)-etheno-2'-deoxyguanosine adduct formation.
Gas chromatographic determination of volatile congeners in spirit drinks: interlaboratory study.
Sensory irritating potency of some microbial volatile organic compounds (MVOCs) and a mixture of five MVOCs.
Qualitative identification of volatile metabolites from two fungi and three bacteria species cultivated on two media.
Pharmacological properties of T-type Ca2+ current in adult rat sensory neurons: effects of anticonvulsant and anesthetic agents.
Preparative-scale kinetic resolutions catalysed by microbial lipases immobilised in AOT-stabilised microemulsion-based organogels: cryoenzymology as a tool for improving enantioselectivity.
Neurotoxic effects of gasoline and gasoline constituents.
Electroantennogram response of alfalfa seed chalcid,Bruchophagus roddi (Hymenoptera: Eurytomidae) to host- and nonhost-plant volatiles.
Synthesis, molecular modeling studies, and muscarinic receptor activity of azaprophen analogues.
Fungal volatiles: Semiochemicals for stored-product beetles (Coleoptera: Cucujidae).
Chemotaxonomic study of undescribed species ofMyrmica ant from Idaho.
Evaluation of a two-drug combination pretreatment against organophosphorus exposure.
[Exposure of women to chemical solvents during work at chemical plants and its relation to various biochemical parameters].
Affinity and selectivity of the optical isomers of 3-quinuclidinyl benzilate and related muscarinic antagonists.
Effects of Ro15-4513 and other benzodiazepine receptor inverse agonists on alcohol-induced intoxication in the rat.
Extreme sensitivity of grandisal to acids.
Synthesis of enantiomerically enriched 2-heptanol and 3-octanol by microbial reductases ofCurvularia falcata andMucor species.
The metabolism of n-octane in Fischer 344 rats.
Composition of the essential oil of Ocimum canum grown in Rwanda.
Enantiomeric composition of an alarm pheromone component of the antsCrematogaster castanea andC. liengmei.
Volatile constituents of Trichothecium roseum.
Sensitivity to isopropyl alcohol.
Studies on mushroom flavours 2. Flavour compounds in coprinus comatus.
Volatile Flavor Compounds Produced by Molds of Aspergillus, Penicillium, and Fungi imperfecti.
Identification of the predominant volatile compounds produced by Aspergillus flavus.

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C17144
HMDB (The Human Metabolome Database):HMDB30070
FooDB:FDB003343
Export Tariff Code:2905.16.0050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 130.23066711426
Specific gravity @ 25 °C
Pounds per Gallon 6.79 to 6.832
Refractive Index 1.425 to 1.429 @ 20 °C
Boiling Point 173 to 175°C @ 760 mm Hg
Vapor Pressure 0.512 mmHg @ 25 °C
Vapor Density 4.5
Flash Point TCC Value 65.56 °C TCC
logP (o/w) 2.721 est
Solubility
alcohol Yes
fixed oils Yes
water, 1379 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Earthy
earthy, mushroom, herbal, melon, citrus, woody, spicy, minty, dairy, musty, creamy, waxy, fermented, green
General comment At 10.00 % in dipropylene glycol. earthy mushroom herbal melon citrus woody spicy minty
Mosciano, Gerard P&F 23, No. 5, 49, (1998) At 5.00 %. Earthy, mushroom, dairy, musty, creamy, waxy with a slight fermented green minty nuance
Flavor Type: Musty
musty, mushroom, earthy, creamy, dairy
Mosciano, Gerard P&F 23, No. 5, 49, (1998) At 5.00 ppm. Musty, mushroom, earthy, creamy dairy

Occurrences

Potential Uses

Applications
Odor purposes Banana , Blackberry , Cherry , Coffee , Cranberry , Fungus , Grape , Herbal , Huckleberry , Lavender , Lemon , Marjoram , Mint , Passion fruit , Plum , Spearmint , Strawberry
Flavoring purposes Cheese blue cheese , Cheese swiss cheese , Fat , Leek , Marjoram , Tropical
Other purposes Soybean , Truffle
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Human Experience:
12 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 881, 1979.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 881, 1979.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 3-octanol usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 4.70 (μg/capita/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 11
Click here to view publication 11
average usual ppmaverage maximum ppm
baked goods: -4.80000
beverages(nonalcoholic): -4.00000
beverages(alcoholic): -1.00000
breakfast cereal: --
cheese: --
chewing gum: -11.20000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -4.00000
fruit ices: --
gelatins / puddings: -4.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -10.00000
soft candy: -4.00000
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):589-98-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11527
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
octan-3-ol
Chemidplus:0000589980
RTECS:RH0855000 for cas# 589-98-0