Octanoic acid

Octanoic acid Chemical Properties
Melting point 16 °C
Boiling point 237 °C(lit.)
density 0.91 g/mL at 25 °C(lit.)
vapor density 5 (vs air)
vapor pressure 1 mm Hg ( 78 °C)
refractive index n20/D 1.428(lit.)
FEMA 2799 | OCTANOIC ACID
Fp >230 °F
storage temp. 20-25°C
solubility 0.68g/l
pka4.89(at 25℃)
form Liquid
color Clear colorless to yellow
Specific Gravity0.910 (20/4℃)
Odorunpleasant odor
PH3.97(1 mM solution);3.45(10 mM solution);2.95(100 mM solution);
PH Range3.5
Odor Typefatty
explosive limit1%(V)
Water Solubility 0.68 g/L (20 ºC)
JECFA Number99
Merck 14,1765
BRN 1747180
Stability:Stable. Incompatible with bases, reducing agents, oxidizing agents. Flammable.
LogP3.05 at 20℃
CAS DataBase Reference124-07-2(CAS DataBase Reference)
NIST Chemistry ReferenceOctanoic acid(124-07-2)
EPA Substance Registry SystemOctanoic acid (124-07-2)
Safety Information
Hazard Codes C,Xi
Risk Statements 34
Safety Statements 26-36/39-45-36/37/39-25-27
RIDADR UN 3265 8/PG 3
WGK Germany 1
RTECS RH0175000
Autoignition Temperature>300 °C
Hazard Note Irritant
TSCA Yes
HS Code 2915 90 70
HazardClass 8
PackingGroup III
Hazardous Substances Data124-07-2(Hazardous Substances Data)
ToxicityLD50 orally in rats: 10,080 mg/kg (Jenner)
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
Octanoic acid Usage And Synthesis
Chemical PropertiesOctanoic acid has a mildly unpleasant odor and a burning, rancid taste. It is also reported as having a faint, fruity–acid odor and slightly sour taste. As an eight-carbon compound, it is among the fatty acids considered to be of short or medium chain length.
Physical propertiesCaprylic acid, CH3(CH2)6COOH, also known as hexylacetic acid,n-octanoic acid, octylie acid, and octic acid, is a colorless, oily liquid having a mildly unpleasant odor and a burning, rancid taste. It is only slightly soluble in water (68 mg per 100 mL at 20°C). It is a natural component of coconut and palm nut oils and butter fat. Caprylic acid has also been identified in trace amounts in beer, brandy distillate, the essential oil of fermented Russian black tea leaves, and raw soybeans.It is used in manufacturing drugs and dyes.
OccurrenceIt is found naturally in the milk of various mammals, and it is a minor constituent of coconut oil and palm kernel oil. Octanoic acid has also been identified in trace amounts in beer, brandy distillate, the essential oil of fermented Russian black tea leaves and raw soybeans.
UsesOctanoic acid is a flavoring agent considered to be a short or medium chain fatty acid. It occurs normally in various foods and is commercially prepared by oxidation of n-octanol or by fermentation and fractional distillation of the volatile fatty acids present. It is used in maximum levels, as served, of 0.13% for baked goods; 0.04% for cheeses; 0.005% for fats and oils, frozen dairy desserts, gelatins and puddings, meat products, and soft candy; 0.016% for snack foods; and 0.001% or less for all other food categories.
DefinitionChEBI: Octanoic acid is a straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. It has a role as an antibacterial agent, a human metabolite and an Escherichia coli metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of an octanoate.
ApplicationOctanoic acid is widely applied in various fields, It is an antimicrobial pesticide used as a food contact surface sanitizer in commercial food handling establishments on dairy equipment, food processing equipment, breweries, wineries, and beverage processing plants. In addition, caprylic acid is used as an algaecide, bactericide, and fungicide in nurseries, greenhouses, garden centers, and interiorscapes on ornamentals. Products containing caprylic acid are formulated as soluble concentrate/liquids and ready-to-use liquids.
Caprylic acid is also used in the treatment of some bacterial infections. Due to its relatively short chain length it has no difficulty in penetrating fatty cell wall membranes, hence its effectiveness in combating certain lipid-coated bacteria, such as Staphylococcus aureus and various species of Streptococcus.
Octanoic acid is used commercially in the production of esters used in perfumery and also in the manufacture of dyes.
Some studies have shown that Caprylic acid is effective to excess calorie burning taken as a dietary supplement, resulting in weigh loss.
PreparationOctanoic acid is produced by fermentation and fractional distillation of the volatile fatty acids present in coconut oil.
Aroma threshold valuesDetection: 910 ppb to 19 ppm. Aroma characteristics at 1.0%: waxy, dirty, sweaty and cheesy fatty, with dirty oily and creamy dairy nuances.
Taste threshold valuesTaste characteristics at 10 ppm: creamy, waxy, dirty, sweaty, dairy cheeselike.
Synthesis Reference(s)The Journal of Organic Chemistry, 54, p. 5395, 1989 DOI: 10.1021/jo00283a044
Synthetic Communications, 19, p. 2151, 1989 DOI: 10.1080/00397918908052610
General DescriptionOctanoic acid appears as a colorless to light yellow liquid with a mild odor. Burns, but may be difficult to ignite. Corrosive to metals and tissue.
Reactivity ProfileOctanoic acid reacts exothermically to neutralize bases. Can react with active metals to form gaseous hydrogen and a metal salt. May absorb enough water from the air and dissolve sufficiently in it to corrode or dissolve iron, steel, and aluminum parts and containers. Reacts with cyanide salts or solutions of cyanide salts to generate gaseous hydrogen cyanide. Reacts exothermically with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides to generate flammable and/or toxic gases. Reacts with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Reacts with carbonates and bicarbonates to generate a harmless gas (carbon dioxide) but still heat. Can be oxidized exothermically by strong oxidizing agents and reduced by strong reducing agents. A wide variety of products is possible. May initiate polymerization reactions or catalyze (increase the rate of) reactions among other materials.
Safety ProfileModerately toxic by intravenous route. Mildly toxic by ingestion. Mutation data reported. A skin irritant. Yields irritating vapors that can cause coughmg. When heated to decomposition it emits acrid smoke and irritating fumes.
1-Octanol Stannous octoate 7-CHLOROCARBONYL-HEPTANOIC ACID ETHYL ESTER Hyaluronic acid Ethyl 2-(Chlorosulfonyl)acetate 4-CARBETHOXY-2-ETHYL-3-METHYL-2-CYCLOHEXEN-1-ONE Sodium 2-ethylhexanoate Lipoic acid Ascoric Acid ETHYL CYCLOHEXANEPROPIONATE Stearic acid Folic acid Octanoic acid 2-Ethylhexanoic acid Cobalt bis(2-ethylhexanoate) Cyclohexylacetic acid METHYL CYCLOHEXANEACETATE Citric acid

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