2-octanol

methyl hexyl carbinol

CAS: 123-96-6 C8 H18 O MW: 130.23066000 spicy spicy

Identification

Name2-octanol
IUPACoctan-2-ol
CAS Number123-96-6
EINECS204-667-0
FDA UNII66B0DD5E40
Molecular FormulaC8 H18 O
Molecular Weight130.23066000
MDL NumberMFCD00004591
Nikkaji NumberJ9.883C
Beilstein1719322
CoE Number71
XlogP32.90 (est)

Regulatory

JECFA Food Flavoring289 2-octanol
DG SANTE Food Flavourings02.022 octan-2-ol
FEMA Number2801
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)123-96-6 ; 2-OCTANOL
FDA RegulationFDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

Physical Properties

Appearance colorless clear oily liquid (est)
Assay 97.00 to 100.00 sum of isomers
Food Chemicals Codex Listed No
Specific Gravity 0.81000 to 0.82000 @ 25.00 °C.
Pounds per Gallon - (est). 6.740 to 6.823
Refractive Index 1.41800 to 1.42800 @ 20.00 °C.
Melting Point -38.00 to -37.00 °C. @ 760.00 mm Hg
Boiling Point 179.00 to 181.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.306000 mmHg @ 25.00 °C. (est)
Flash Point 160.00 °F. TCC ( 71.11 °C. )
logP (o/w) 2.900
Soluble in alcohol

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Strength medium ,
Substantivity 12 hour(s) at 100.00 %
Odor Description at 10.00 % in dipropylene glycol.
Odor sample from Nickstadt Moeller, Inc.
Taste Description herbal spicy green nasturtium earthy unripe banana mushroom

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 3200 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for 2-octanol usage levels up to1.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)11.00 (μg/capita/day)
Structure ClassI
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-

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Potential Uses

FR earth FR geranium FR green FR herbal FR lavender FR mint FR spice FR woody

Natural Occurrence

geranium kachur oil @ 0.10% Data lavender mint rue oil china @ 0.02% Data

Synonyms

2- caprylic alcohol sec- caprylic alcohol hexyl methyl carbinol 2- hydroxy-N-octane 2- hydroxyoctane 1- methyl heptyl alcohol methyl hexyl carbinol 1- methyl-1-heptanol octan-2-ol (1)- octan-2-ol N- octan-2-ol (±)-2- octanol (R,S)-2- octanol (RS)-2- octanol 2- octanol natural 2- octyl alcohol beta- octyl alcohol S- octyl alcohol PubMed: Improvement of the activation of lipase from Candida rugosa following physical and chemical immobilization on modified mesoporous silica. PubMed: Novel Magnetic Cross-Linked Lipase Aggregates for Improving the Resolution of (R, S)-2-octanol. PubMed: Electrophysiological responses of the rice leaffolder, Cnaphalocrocis medinalis, to rice plant volatiles. PubMed: In vitro determination of volatile compound development during starter culture-controlled fermentation of Cucurbitaceae cotyledons. PubMed: Measurement of plasma protein and lipoprotein binding of pyrethroids. 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PubMed: Epimers of bicyclo[2.2.2]octan-2-ol derivatives with antiprotozoal activity. PubMed: Hydrogen bonding in liquid and supercritical 1-octanol and 2-octanol assessed by near and midinfrared spectroscopy. PubMed: Comparison of hydrogen bonding in 1-octanol and 2-octanol as probed by spectroscopic techniques. PubMed: Kinetic model for reactivity in quaternary water-in-oil microemulsions. PubMed: Effect of lipase immobilization on resolution of (R, S)-2-octanol in nonaqueous media using modified ultrastable-Y molecular sieve as support. PubMed: Core-shell type of nanoparticles composed of poly[(n-butyl cyanoacrylate)-co-(2-octyl cyanoacrylate)] copolymers for drug delivery application: synthesis, characterization and in vitro degradation. PubMed: Anti-prelog reduction of prochiral carbonyl compounds by Oenococcus oeni in a biphasic system. PubMed: Preparation of single-enantiomer 2-methyl-4-heptanol, a pheromone of Metamasius hemipterus, using (S)-2-methoxy-2-(1-naphthyl)propionic acid. PubMed: Functional characterization of alcohol oxidases from Aspergillus terreus MTCC 6324. PubMed: Bicyclo[3.2.1]octa-3,6-dien-2-yl cation: a bishomoantiaromate. PubMed: Interactions between acetoin, a plant volatile, and pheromone in Rhynchophorus palmarum: behavioral and olfactory neuron responses. PubMed: Studies on the mechanism of Indigo Carmine removal by solvent sublation. PubMed: Gibbs energies of transfer of chiral anions across the interface water/chiral organic solvent determined with the help of three-phase electrodes. PubMed: Determining the Gibbs energy of ion transfer across water-organic liquid interfaces with three-phase electrodes. PubMed: High-yield conversion of (R)-2-octanol from the corresponding racemate by stereoinversion using Candida rugosa. PubMed: Photodynamic therapy with PhotoPoint photosensitiser MV6401, indium chloride methyl pyropheophorbide, achieves selective closure of rat corneal neovascularisation and rabbit choriocapillaris. PubMed: The nature of the hydrophobic n-alkanol binding site within the C1 domains of protein kinase Calpha. PubMed: The stereoselectivity and catalytic properties of Xanthobacter autotrophicus 2-[(R)-2-Hydroxypropylthio]ethanesulfonate dehydrogenase are controlled by interactions between C-terminal arginine residues and the sulfonate of coenzyme M. PubMed: A hollow-fiber membrane extraction process for recovery and separation of lactic acid from aqueous solution. PubMed: Effects of alcohols and anesthetics on recombinant voltage-gated Na+ channels. PubMed: General anesthetic octanol and related compounds activate wild-type and delF508 cystic fibrosis chloride channels. PubMed: Oxidative one-carbon cleavage of the octyl side chain of olanexidine, a novel antimicrobial agent, in dog liver microsomes. PubMed: Regio- and enantioselective alkane hydroxylation with engineered cytochromes P450 BM-3. PubMed: Microbial/enzymatic synthesis of chiral drug intermediates. PubMed: In situ Ca2+ imaging of odor responses in a coronal olfactory epithelium slice. PubMed: (2RS)-5,6:7,8-Dibenzobicyclo[2.2.2]octan-2-ol. PubMed: Purification and characterization of an inverting stereo- and enantioselective sec-alkylsulfatase from the gram-positive bacterium Rhodococcus ruber DSM 44541. PubMed: Solvent influence on excited-state intramolecular proton transfer in 3-hydroxychromone derivatives studied by cryogenic high-resolution fluorescence spectroscopy. PubMed: On the mechanism of the unexpected facile formation of meso-diacetate products in enzymatic acetylation of alkanediols. 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