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Isovaleric acid

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Isovaleric acid Basic information
Isovaleric acid Chemical Properties
  • Melting point:-29 °C (lit.)
  • Boiling point:175-177 °C (lit.)
  • Density 0.925 g/mL at 20 °C (lit.)
  • vapor pressure 0.38 mm Hg ( 20 °C)
  • refractive index n20/D 1.403(lit.)
  • Flash point:159 °F
  • storage temp. Store below +30°C.
  • solubility 48g/l
  • pka4.77(at 25℃)
  • form Liquid
  • color Clear colorless to slightly yellow
  • Specific Gravity0.928 (20/20℃)
  • PH3.1 (10g/l, H2O, 25℃)
  • explosive limit1.5-6.8%(V)
  • Water Solubility 25 g/L (20 ºC)
  • Merck 14,5231
  • JECFA Number259
  • BRN 1098522
  • CAS DataBase Reference503-74-2(CAS DataBase Reference)
  • NIST Chemistry ReferenceButanoic acid, 3-methyl-(503-74-2)
  • EPA Substance Registry SystemIsovaleric acid (503-74-2)
Safety Information
  • Hazard Codes C,T
  • Risk Statements 34-24-22
  • Safety Statements 26-36/37/39-45-38-28A
  • RIDADR UN 3265 8/PG 2
  • WGK Germany 1
  • RTECS NY1400000
  • 13
  • Autoignition Temperature824 °F
  • TSCA Yes
  • HS Code 2915 60 90
  • HazardClass 6.1
  • PackingGroup III
  • Hazardous Substances Data503-74-2(Hazardous Substances Data)
  • ToxicityLD50 i.v. in mice: 1120±30 mg/kg (Or, Wretlind)
Isovaleric acid Usage And Synthesis
  • DescriptionIsovaleric acid has a characteristic disagreeable odor. It is extremely penetrating and persistent with a sour taste. May be synthesized by oxidation of isoamyl alcohol or isovaleric aldehyde.
  • Chemical PropertiesIsovaleric acid has a characteristic disagreeable, rancid, cheese-like odor. It is extremely penetrating and persistent with a sour taste. May consist of one or a mixture of isomers or n-pentanoic acid and/or 2- or 3-methyl butanoic acid. Consumption: Annual: 1850.00 lb
  • Chemical Propertiesclear colorless to slightly yellow liquid
  • OccurrenceOf the three possible isomers of n-valeric acid, only isovaleric acid has extensive application in flavoring; originally reported in seal and dolphin fat; subsequently isolated from valerian. Also reported found in the essential oils of cypress, citronella, laurel leaves, cajeput, Cymbopogon javanensis, hops, Persea pubescens, geranium, American peppermint, spearmint, rosemary, lemongrass, Eucalyptus goniocalyx and other spp., tobacco, Monarda fistulos, Thymus mastichina, Artemisia frigida, and probably in lavender; reported among the constituents of petitgrain lemon. Also reported found in many foods including apple, currants, guava, grapes, papaya, peach, pineapple, raspberry, strawberry, potato, bell pepper, vinegar, breads, many cheeses, fish, chicken, lamb, hop oil, beer, cognac, whiskies, cider, sherry, grape wines, rum, cocoa, tea, coffee, honey, soybean, passion fruit, mushrooms, marjoram, plum, brandy, starfruit, trassi, rice, jackfruit, sake, sukiyaki, buckwheat, corn oil, cashew apple, malt, wort, Bourbon vanilla, shrimp, mussels, cherimoya, Cape gooseberry and Chinese quince frui
  • UsesIsovaleric acid is used extensively as a flavoring ingredient in nonalcoholic beverages and in foods such as ice cream, candy, baked goods, and cheese, as a fragrance ingredient in perfumes, and as a chemical intermediate in the manufacture of sedatives and other pharmaceutical products. It is also used as an extractant of mercaptans from petroleum hydrocarbons, a vinyl stabilizer, and as an intermediate in the manufacture of plasticizers and synthetic lubricants.
  • UsesIn flavors, perfumes, manufacture of sedatives.
  • DefinitionChEBI: A C5, branched-chain saturated fatty acid.
  • PreparationBy oxidation of isoamyl alcohol or isovaleric aldehyde
  • Aroma threshold valuesDetection: 190 ppb to 2.8 ppm
  • Synthesis Reference(s)Chemical and Pharmaceutical Bulletin, 30, p. 2787, 1982 DOI: 10.1248/cpb.30.2787
    Tetrahedron Letters, 23, p. 3135, 1982 DOI: 10.1016/S0040-4039(00)88578-0
  • General DescriptionIsovaleric acid is a colorless liquid with a penetrating odor. Isovaleric acid is slightly soluble in water. Isovaleric acid is corrosive to metals and to tissue.
  • Air & Water ReactionsIsovaleric acid is slightly soluble in water.
  • Reactivity ProfileIsovaleric 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 Isovaleric 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.
  • HazardStrong irritant to tissue.
  • Health HazardTOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
  • Fire HazardNon-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated.
Isovaleric acid Preparation Products And Raw materials
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