3-octanol
octan-3-ol
Identification
| Name | 3-octanol |
| IUPAC | octan-3-ol |
| CAS Number | 589-98-0 |
| EINECS | 209-667-4 |
| FDA UNII | 73DZ0U3U1E |
| Molecular Formula | C8 H18 O |
| Molecular Weight | 130.23066000 |
| MDL Number | MFCD00004590 |
| Nikkaji Number | J43.433G |
| Beilstein | 1719310 |
| CoE Number | 11715 |
| XlogP3 | 2.80 (est) |
Regulatory
| JECFA Food Flavoring | 291 3-octanol |
| DG SANTE Food Flavourings | 02.098 octan-3-ol |
| FEMA Number | 3581 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 589-98-0 ; 3-OCTANOL |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.81600 to 0.82100 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.790 to 6.832 |
| Refractive Index | 1.42500 to 1.42900 @ 20.00 °C. |
| Melting Point | -45.00 °C. @ 760.00 mm Hg |
| Boiling Point | 173.00 to 175.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.512000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 4.5 ( Air = 1 ) |
| Flash Point | 150.00 °F. TCC ( 65.56 °C. ) |
| logP (o/w) | 2.721 (est) |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description |
at 10.00 % in dipropylene glycol. at 5.00 %. Herbaceous odor, somewhat nutty and fatty Strong, Oily, Nutty, Herbaceous HERBAL, POWERFUL, MUSHROOM, EARTHY
|
| Taste Description | at 5.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 12 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 > 5000 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| 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 |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| 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 | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
Advanced Biotech. Inc.
Inspired by Nature
A diverse range of products, all meeting our stringent commitment to quality.
Alfrebro LLC/ Archer Daniels Midland Company
Let's get reacquainted
Building great taste with aroma chemicals, extracts, and distillates
Augustus Oils Ltd
The Premier Supplier
Augustus Oils Ltd, in harmony with nature - to present it at its best...
Axxence Aromatic GmbH
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Dedicated to provide the best possible quality and supply service of natural aroma ingredients.
Berje Inc.
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Where the world comes to its senses - Berjé is a global distributor of Essential Oils and Aromatic Chemicals.
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
Excellentia International
Ingredients by Nature
Exceptional quality and excellence in meeting our customers requirements.
Fleurchem, Inc.
Have A Flavorful Day
A leading global manufacturer and supplier of ingredients for Flavors, Fragrances, AromaTherapy, Foods, Beverages, Personal Care Products, and other uses.
Hermitage Oils / Neroli S.R.L.
Perfumery and Aromatherapy materials since 1979
Hermitage Oils, the true home of essential oils!
Indukern, S.A. F&F Ingredients Division
Commitment to quality
Idukern F&F Ingredients is your partner for the fragrance and flavor ingredients.
Lluch Essence S.L.
A family company dedicated to sales and distribution
Flexibility, availability, price and quality.
M&U International LLC
Steady supply & demand
Meeting customers increasing demands at home as well as abroad.
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Sigma-Aldrich
Complete Supply Chain
The perfect blend of products and services that bring your creativity to life.
Synerzine, Inc.
Innovation. Customization. Aroma Ingredients.
Synerzine is a leading supplier of flavor and fragrance ingredients.
WholeChem, LLC
Connecting Innovators To the Building Blocks Of the Universe
Custom manufacturer and distributor of specialty ingredients. We make global local.
Potential Uses
Natural Occurrence
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
octanol
D-
octanol
dextro-N-
octanol
DL-3-
octanol
3-
octanol (natural)
octanol 3
3-
octanol natural
octanol-3
ottan-3-olo
PubMed:
Attraction of Callosobruchus maculatus (F.) (Coleoptera: Bruchidae) to four varieties of Lathyrus sativus L. seed volatiles.
PubMed:
HS/GC-MS analyzed chemical composition of the aroma of fruiting bodies of two species of genus Lentinus (Higher Basidiomycetes).
PubMed:
Arachidonic acid-dependent carbon-eight volatile synthesis from wounded liverwort (Marchantia polymorpha).
PubMed:
Studies on volatile organic compounds of some truffles and false truffles.
PubMed:
Manipulation of flavour and aroma compound sequestration and release using a glycosyltransferase with specificity for terpene alcohols.
PubMed:
Generalization and discrimination tasks yield concordant measures of perceived distance between odours and their binary mixtures in larval Drosophila.
PubMed:
Copper-organic frameworks assembled from in situ generated 5-(4-pyridyl)tetrazole building blocks: synthesis, structural features, topological analysis and catalytic oxidation of alcohols.
PubMed:
(R)-(-)-Quinuclidin-3-ol.
PubMed:
Anti-inflammatory and antinociceptive action of an orally available nociceptin receptor agonist SCH 221510 in a mouse model of inflammatory bowel diseases.
PubMed:
The biology of Nociceptin/Orphanin FQ (N/OFQ) related to obesity, stress, anxiety, mood, and drug dependence.
PubMed:
Potential aromatic compounds as markers to differentiate between Tuber melanosporum and Tuber indicum truffles.
PubMed:
Effects of spinally administered bifunctional nociceptin/orphanin FQ peptide receptor/μ-opioid receptor ligands in mouse models of neuropathic and inflammatory pain.
PubMed:
Olfactory memories are intensity specific in larval Drosophila.
PubMed:
Regulating cough through modulation of sensory nerve function in the airways.
PubMed:
Multiple headspace-solid-phase microextraction: an application to quantification of mushroom volatiles.
PubMed:
Essential oils and their compositions as spatial repellents for pestiferous social wasps.
PubMed:
The novel antiangiogenic VJ115 inhibits the NADH oxidase ENOX1 and cytoskeleton-remodeling proteins.
PubMed:
Roles of μ-opioid receptors and nociceptin/orphanin FQ peptide receptors in buprenorphine-induced physiological responses in primates.
PubMed:
Two identical nonylphenol monooxygenase genes linked to IS6100 and some putative insertion sequence elements in Sphingomonas sp. NP5.
PubMed:
Volatile constituents of Origanum vulgare L., 'thymol' chemotype: variability in North India during plant ontogeny.
PubMed:
A combined perceptual, physico-chemical, and imaging approach to 'odour-distances' suggests a categorizing function of the Drosophila antennal lobe.
PubMed:
Olfactory cues from plants infected by powdery mildew guide foraging by a mycophagous ladybird beetle.
PubMed:
(1RS,2RS,3SR,5RS,7RS)-2,5-Dichloro-8-oxabicyclo-[5.1.0]octan-3-ol.
PubMed:
8-Carbon oxylipins inhibit germination and growth, and stimulate aerial conidiation in Aspergillus nidulans.
PubMed:
A behavioral odor similarity "space" in larval Drosophila.
PubMed:
Antioxidant Activity of the Essential Oil and Methanolic Extract of Teucrium orientale (L.) subsp. taylori (Boiss.) Rech. f.
PubMed:
Adaptive adjustment of the generalization-discrimination balance in larval Drosophila.
PubMed:
Identification of two novel metabolites of SCH 486757, a nociceptin/orphanin FQ peptide receptor agonist, in humans.
PubMed:
Neurotoxicity of fungal volatile organic compounds in Drosophila melanogaster.
PubMed:
Inhibition of predator attraction to kairomones by non-host plant volatiles for herbivores: a bypass-trophic signal.
PubMed:
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.
PubMed:
Odour intensity learning in fruit flies.
PubMed:
Indolyl-quinuclidinols inhibit ENOX activity and endothelial cell morphogenesis while enhancing radiation-mediated control of tumor vasculature.
PubMed:
Aroma-active components of Lycii fructus (kukija).
PubMed:
Effect of Agave tequilana age, cultivation field location and yeast strain on tequila fermentation process.
PubMed:
Specificity and redundancy in the olfactory system of the bark beetle Ips typographus: single-cell responses to ecologically relevant odors.
PubMed:
Use of headspace SPME-GC-MS for the analysis of the volatiles produced by indoor molds grown on different substrates.
PubMed:
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.
PubMed:
Screening of cider yeasts for sparkling cider production (Champenoise method).
PubMed:
Induction of conidiation by endogenous volatile compounds in Trichoderma spp.
PubMed:
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).
PubMed:
Green procedure for the preparation of scented alcohols from carbonyl compounds.
PubMed:
Correlation between the pattern volatiles and the overall aroma of wild edible mushrooms.
PubMed:
Host recognition by the specialist hoverfly Microdon mutabilis, a social parasite of the ant Formica lemani.
PubMed:
Simultaneous determination of gasoline oxygenates and benzene, toluene, ethylbenzene and xylene in water samples using headspace-programmed temperature vaporization-fast gas chromatography-mass spectrometry.
PubMed:
rac-(Z)-2-(2-Thienylmethylene)-1-azabicyclo[2.2.2]octan-3-ol.
PubMed:
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.
PubMed:
Differentiation of aroma characteristics of pine-mushrooms (Tricholoma matsutake Sing.) of different grades using gas chromatography-olfactometry and sensory analysis.
PubMed:
Novel chemical enhancers of heat shock increase thermal radiosensitization through a mitotic catastrophe pathway.
PubMed:
Characterization of aroma-active compounds in raw and cooked pine-mushrooms (Tricholoma matsutake Sing.).
PubMed:
Difference in the volatile composition of pine-mushrooms (Tricholoma matsutake Sing.) according to their grades.
PubMed:
Bioremediation of groundwater contaminated with gasoline hydrocarbons and oxygenates using a membrane-based reactor.
PubMed:
Structural characterization of interfacial n-octanol and 3-octanol using molecular dynamic simulations.
PubMed:
Volatile constituents of Semnostachya menglaensis Tsui.
PubMed:
A new technological approach proposed for distillate production using immobilized cells.
PubMed:
Feeding response to host and nonhost compounds by males and females of the spruce bark beetle Ips typographus in a tunneling microassay.
PubMed:
Volatile compounds of Aspergillus strains with different abilities to produce ochratoxin A.
PubMed:
[Studies on the chemical constituents of the volatiles of Clerodendron bungei].
PubMed:
The role of volatile semiochemicals in mediating host location and selection by nuisance and disease-transmitting cattle flies.
PubMed:
(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.
PubMed:
Supramolecular recognition and structural elucidation of inclusion complexes of an achiral carbene precursor in beta- and permethylated beta-cyclodextrin.
PubMed:
Two isomers of 2,4-dibenzyl-8-azabicyclo[3.2.1]octan-3-ol.
PubMed:
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.
PubMed:
Subchronic oral toxicity study on the three flavouring substances: octan-3-ol, 2-methylcrotonic acid and oct-3-yl 2-methylcrotonate in Wistar rats.
PubMed:
Grape and apple wines volatile fermentation products and possible relation to spoilage.
PubMed:
Comparison of volatile compound production in fruit body and in mycelium of Pleurotus ostreatus identified by submerged and solid-state cultures.
PubMed:
Solvent selection for solid-to-solid synthesis.
PubMed:
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.
PubMed:
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?
PubMed:
Olfactory responses of Ips duplicatus from inner Mongolia, China to nonhost leaf and bark volatiles.
PubMed:
Biodegradation of tert-butyl alcohol and related xenobiotics by a methylotrophic bacterial isolate.
PubMed:
Continuous wine making by gamma-alumina-supported biocatalyst: quality of the wine and distillates.
PubMed:
Oxidative cleavage of the octyl side chain of 1-(3,4-dichlorobenzyl)-5-octylbiguanide (OPB-2045) in rat and dog liver preparations.
PubMed:
trans,trans-2,4-decadienal-induced 1,N(2)-etheno-2'-deoxyguanosine adduct formation.
PubMed:
Gas chromatographic determination of volatile congeners in spirit drinks: interlaboratory study.
PubMed:
Sensory irritating potency of some microbial volatile organic compounds (MVOCs) and a mixture of five MVOCs.
PubMed:
Qualitative identification of volatile metabolites from two fungi and three bacteria species cultivated on two media.
PubMed:
Pharmacological properties of T-type Ca2+ current in adult rat sensory neurons: effects of anticonvulsant and anesthetic agents.
PubMed:
Preparative-scale kinetic resolutions catalysed by microbial lipases immobilised in AOT-stabilised microemulsion-based organogels: cryoenzymology as a tool for improving enantioselectivity.
PubMed:
Neurotoxic effects of gasoline and gasoline constituents.
PubMed:
Electroantennogram response of alfalfa seed chalcid,Bruchophagus roddi (Hymenoptera: Eurytomidae) to host- and nonhost-plant volatiles.
PubMed:
Synthesis, molecular modeling studies, and muscarinic receptor activity of azaprophen analogues.
PubMed:
Fungal volatiles: Semiochemicals for stored-product beetles (Coleoptera: Cucujidae).
PubMed:
Chemotaxonomic study of undescribed species ofMyrmica ant from Idaho.
PubMed:
Evaluation of a two-drug combination pretreatment against organophosphorus exposure.
PubMed:
[Exposure of women to chemical solvents during work at chemical plants and its relation to various biochemical parameters].
PubMed:
Affinity and selectivity of the optical isomers of 3-quinuclidinyl benzilate and related muscarinic antagonists.
PubMed:
Effects of Ro15-4513 and other benzodiazepine receptor inverse agonists on alcohol-induced intoxication in the rat.
PubMed:
Extreme sensitivity of grandisal to acids.
PubMed:
Synthesis of enantiomerically enriched 2-heptanol and 3-octanol by microbial reductases ofCurvularia falcata andMucor species.
PubMed:
The metabolism of n-octane in Fischer 344 rats.
PubMed:
Composition of the essential oil of Ocimum canum grown in Rwanda.
PubMed:
Enantiomeric composition of an alarm pheromone component of the antsCrematogaster castanea andC. liengmei.
PubMed:
Volatile constituents of Trichothecium roseum.
PubMed:
Sensitivity to isopropyl alcohol.
PubMed:
Studies on mushroom flavours 2. Flavour compounds in coprinus comatus.
PubMed:
Volatile Flavor Compounds Produced by Molds of Aspergillus, Penicillium, and Fungi imperfecti.
PubMed:
Identification of the predominant volatile compounds produced by Aspergillus flavus.