3-hexanol

ethyl propyl carbinol

CAS: 623-37-0 C6 H14 O MW: 102.17678000 alcoholic alcoholic

Identification

Name3-hexanol
IUPAChexan-3-ol
CAS Number623-37-0
EINECS210-790-0
FDA UNIII1ZTO95J84
Molecular FormulaC6 H14 O
Molecular Weight102.17678000
MDL NumberMFCD00004582
Nikkaji NumberJ94.874H
Beilstein1718964
CoE Number11775
XlogP31.70 (est)

Regulatory

JECFA Food Flavoring282 3-hexanol
DG SANTE Food Flavourings02.089 hexan-3-ol
FEMA Number3351
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)623-37-0 ; 3-HEXANOL

Physical Properties

Appearance colorless clear liquid (est)
Assay 97.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.81800 to 0.82200 @ 20.00 °C.
Pounds per Gallon - (est). 6.815 to 6.848
Refractive Index 1.41400 to 1.41800 @ 20.00 °C.
Boiling Point 133.00 to 135.00 °C. @ 760.00 mm Hg
Vapor Pressure 3.393000 mmHg @ 25.00 °C. (est)
Flash Point 107.00 °F. TCC ( 41.67 °C. )
logP (o/w) 1.650
Soluble in alcohol

Organoleptic Properties

Odor Description
at 1.00 % in dipropylene glycol.
at 1.00 %.
Taste Description at 20.00 ppm.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral ToxicityNot determined
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 3-hexanol usage levels up to0.6000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)11.00 (μg/capita/day)
Structure ClassII
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-

Alfrebro LLC/ Archer Daniels Midland Company

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Beijing Lys Chemicals Co, LTD.

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Sigma-Aldrich

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Synerzine, Inc.

Innovation. Customization. Aroma Ingredients.

Synerzine is a leading supplier of flavor and fragrance ingredients.

View All Website (404) 524-6744 info@synerzine.com

TCI AMERICA

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WholeChem, LLC

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Custom manufacturer and distributor of specialty ingredients. We make global local.

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Potential Uses

FR floral FL fruit tropical fruit FR herbal FR hyacinth

Natural Occurrence

apricot fruit banana fruit cheese parmesan cheese PMC chicken cooked chicken PMC clary sage oil greece @ 0.15% Data cognac PMC cranberry fruit currant black currant fruit grapefruit juice papaya fruit pepper bell pepper fruit pineapple fruit safflower flower

Synonyms

ethyl N-propyl carbinol ethyl propyl carbinol hexan-3-ol 3- hexyl alcohol 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: Synthetic cis-jasmone exposure induces wheat and barley volatiles that repel the pest cereal leaf beetle, Oulema melanopus L. PubMed: New active HIV-1 protease inhibitors derived from 3-hexanol: conformation study of the free inhibitors in crystalline state and in complex with the enzyme. PubMed: Selective hydroxylation of alkanes by an extracellular fungal peroxygenase. PubMed: Inhibition of MMPs by alcohols. PubMed: Synthesis of conformationally locked L-deoxythreosyl phosphonate nucleosides built on a bicyclo[3.1.0]hexane template. PubMed: Dependence of the enantioselectivity on reversion of layer directions in cholamide inclusion compounds. PubMed: [Identification of volatiles from field cotton plant under different induction treatments]. PubMed: Purification and characterization of alcohol dehydrogenase reducing N-benzyl-3-pyrrolidinone from Geotrichum capitatum. PubMed: Reliability of fibres in solid-phase microextraction for routine analysis of the headspace of aromatic and medicinal plants. PubMed: Solid-phase microextraction: investigation of the metabolism of substances that may be abused by inhalation. PubMed: Impact of phase ratio, polydimethylsiloxane volume and size, and sampling temperature and time on headspace sorptive extraction recovery of some volatile compounds in the essential oil field. PubMed: Synthesis and biological activity of the four stereoisomers of 4-methyl-3-heptanol: main component of the aggregation pheromone of Scolytus amygdali. PubMed: Pharmaco attributes of dioleoylphosphatidylethanolamine/cholesterylhemisuccinate liposomes containing different types of cleavable lipopolymers. PubMed: Substrate entropy in enzyme enantioselectivity: an experimental and molecular modeling study of a lipase. PubMed: A comparison of lipase-catalysed ester and lactone synthesis in low-water systems: analysis of optimum water activity. PubMed: Functional Cyp2e1 is required for substantial in vivo formation of 2,5-hexanedione from n-hexane in the mouse. PubMed: An investigation into the role of rat skeletal muscle as a site for xenobiotic metabolism using microsomes and isolated cells. PubMed: Metabolism of n-hexane by rat liver and extrahepatic tissues and the effect of cytochrome P-450 inducers. PubMed: Alkoxy Radical Isomerization Products from the Gas-Phase OH Radical-Initiated Reactions of 2,4-Dimethyl-2-pentanol and 3,5-Dimethyl-3-hexanol. PubMed: Crystallization and preliminary X-ray study of Agkistrodon halys blomhoffii phospholipase A2 complexed with a specific inhibitor. PubMed: Synthesis, configuration, and evaluation of two conformationally restrained analogues of phencyclidine. PubMed: The relevance of 4,5-dihydroxy-2-hexanone in the excretion kinetics of n-hexane metabolites in rat and man. PubMed: Rat lung and liver microsomal cytochrome P-450 isozymes involved in the hydroxylation of n-hexane. PubMed: Methodological investigations on the determination of n-hexane metabolites in urine. PubMed: Analysis of n-hexane, 2-hexanone, 2,5-hexanedione, and related chemicals by capillary gas chromatography and high-performance liquid chromatography. PubMed: Selective inhibition by chloramphenicol of cytochrome P-450 isozymes in rat lung and liver involved in the hydroxylation of n-hexane. PubMed: Position specificity in n-hexane hydroxylation by two forms of cytochrome P-450 in rat liver microsomes. PubMed: Urinary excretion of n-hexane metabolites. A comparative study in rat, rabbit and monkey. PubMed: Phthalate esters I: Effects on cytochrome P-450 mediated metabolism in rat liver and lung, serum enzymatic activities and serum protein levels. PubMed: Experimental neurotoxicity and urinary metabolites of the C5-C7 aliphatic hydrocarbons used as glue solvents in shoe manufacture. PubMed: Regio-selectivity of purified forms of rabbit liver microsomal cytochrome P-450 in the metabolism of benzo(a)pyrene, n-hexane and 7-ethoxyresorufin. PubMed: Regulation of primary alkylsulfatase induction in Pseudomonas C12B: concentration-dependent stimulation-inhibition by exogenous UTP and sodium acetate and inhibition by 1-hexanol. PubMed: The specificities and configurations of ternary complexes of yeast and liver alcohol dehydrogenases. PubMed: The estimation of darstine, 1-(3-hydroxy-5-methyl-4-phenylhexyl)-1-methylpiper idinium bromide and its tertiary analog, 5-methyl-4-phenyl-1-(1-piperidyl)-3-hexanol hydrochloride, in plasma and urine. PubMed: Physiological economy of darstine, 5-methyl-4-phenyl-1-(piperidyl)-3-hexanol methobromide, visceral anticholinergic agent.