TIANFU-CHEM - Hexanoic acid

Hexanoic acid Basic information

Description References

Product Name: Hexanoic acid

Synonyms: Hexanoic Acid 〔n-Caproic Acid〕;RARECHEM AL BO 0183;PENTYLFORMIC ACID;PENTANE-1-CARBOXYLIC ACID;N-HEXANOIC ACID;N-CAPROIC ACID;HEXOIC ACID;HEXANOIC ACID

CAS: 142-62-1

MF: C6H12O2

MW: 116.16

EINECS: 205-550-7

Product Categories: Pharmaceutical Intermediates;Miscellaneous Natural Products;API intermediates;Alkylcarboxylic Acids;Monofunctional & alpha,omega-Bifunctional Alkanes;Monofunctional Alkanes;Aliphatics;Carboxylic Acids;Biochemicals and Reagents;Building Blocks;C6;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Elettaria Cardamomum (Cardamom);Fatty Acids and conjugates;Fatty Acyls;Ginkgo biloba;Lavandula angustifolia (Lavendar tea);Lipids;Nutrition Research;Ocimum basilicum (Basil);Organic Building Blocks;Panax ginseng;Phytochemicals by Plant (Food/Spice/Herb);Sambucus nigra (Elderberry);Straight Chain Fatty Acids;Vaccinium myrtillus (Bilberry);Food Additives

Mol File: 142-62-1.mol

Hexanoic acid Structure

Hexanoic acid Chemical Properties

Melting point −4 °C(lit.)

Boiling point 202-203 °C(lit.)

density 0.927 g/mL at 25 °C(lit.)

vapor density 4 (vs air)

vapor pressure 0.18 mm Hg ( 20 °C)

refractive index n20/D 1.4161(lit.)

FEMA 2559 | HEXANOIC ACID

Fp 220 °F

storage temp. Store below +30°C.

solubility water: slightly soluble1.082g/100g(lit.)

pka 4.85(at 25℃)

form Liquid

color Clear colorless to light yellow

PH 4 (1g/l, H2O, 20℃)

Water Solubility 1.1 g/100 mL (20 ºC)

Merck 14,1759

BRN 773837

Stability: Stable. Incompatible with bases, reducing agents and oxidizing agents. Flammable.

CAS DataBase Reference 142-62-1(CAS DataBase Reference)

NIST Chemistry Reference Hexanoic acid(142-62-1)

EPA Substance Registry System Hexanoic acid(142-62-1)

Safety Information

Hazard Codes C,Xi

Risk Statements 34-21-20/21/22

Safety Statements 26-36/37/39-45-25

RIDADR UN 2829 8/PG 3

WGK Germany 1

RTECS MO5250000

F 13

Hazard Note Irritant

TSCA Yes

HazardClass 8

PackingGroup III

Hazardous Substances Data 142-62-1(Hazardous Substances Data)

MSDS Information

Provider Language

ACROS English

SigmaAldrich English

ALFA English

Hexanoic acid Usage And Synthesis

Description Hexanoic acid (also known as Caproci acid, general formula: C5H11COOH) belongs to a kind of saturated medium-chain fatty acid derived from hexane with an unpleasant odor. It is a colorless oily liquid naturally existing in various plant and animal fats and oils. One of its major applications is for the manufacturing of its esters for being artificial flavors. It is also important for the manufacturing of hexyl derivatives such as hexylphenols. Hexanoic acid belongs to medium chain triglycerides (MCT) that are widely used as a nutrition supplement that added to foods, drugs and cosmetics.

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Chemical Properties colourless liquid

Uses Intermediates of Liquid Crystals

Definition ChEBI: A C6, straight-chain saturated fatty acid.

General Description A white crystalline solid or colorless to light yellow solution with an unpleasant odor. Insoluble to slightly soluble in water and less dense than water. Contact may severely irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used to make perfumes.

Air & Water Reactions Slightly water soluble.

Reactivity Profile Hexanoic acid is a carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in Hexanoic acid to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions. Hexanoic acid reacts with bases, oxidizing agents and reducing agents.

Health Hazard Harmful if swallowed, inhaled, or absorbed through skin. Material is extremely destructive to tissue of mucous membranes and upper respiratory tract, eyes and skin. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchia, chemical pneumonitis and pulmonary edema. Symptoms of exposure may include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea and vomiting.

Fire Hazard Special Hazards of Combustion Products: Irritating vapor may be generated.

Hexanoic acid Preparation Products And Raw materials

Raw materials Nitric acid-->Calcium chloride-->Lauric acid-->Coconut oil-->Hexyl alcohol-->Caproaldehyde-->DL-2-Octanol-->HEXANENITRILE

Preparation Products 2-Pentanone-->Hexyl alcohol-->Caproaldehyde-->Hexanoyl chloride-->1,2-Phenylenediacetic acid-->Allyl hexanoate-->Ethyl caproate-->Ethyl heptanoate -->4-Hexyl-1,3-benzenediol-->Bupivacaine-->Methyl hexanoate-->Amylamine-->PENTYL HEXANOATE-->Butyl hexanoate-->HEXANOIC ANHYDRIDE-->Cyclohexanehexanoic acid, 2-propenyl ester-->Isobutyl hexanoate-->FEMA 3403-->Ethyl1-butyl-2-piperidinecarbxylate-->Caproic acid propyl ester-->Isopentyl hexanoate-->HEXANAMIDE-->DL-2-Bromohexanoic acid