Isovaleric acid
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Isovaleric acid
structure -
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CAS No:
503-74-2
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Formula:
C5H10O2
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Chemical Name:
Isovaleric acid
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Synonyms:
Butanoic acid,3-methyl-;Isovaleric acid;3-Methylbutanoic acid;Acetic acid,isopropyl-;Delphinic acid;Isopropylacetic acid;β-Methylbutyric acid;Isopentanoic acid;3-Methylbutyric acid;3-Methylbutyrate;3-Methyl-n-butyric acid;Isovalerianic acid;NSC 62783;3-Methyl-1-butanoic acid
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CAS No:
Description
3-Methylbutanoic acid is a natural fatty acid and known to effect on neonatal death and possible Jamaican vomiting sickness in human.
Isopentanoic acid is a colorless liquid with a penetrating odor. It is slightly soluble in water. It is corrosive to metals and to tissue.|Liquid|colourless to pale yellow liquid with a disagreeable, rancid, cheese-like odour
Isopentanoic acid is a colorless liquid with a penetrating odor. It is slightly soluble in water. It is corrosive to metals and to tissue.|Isovaleric acid is a C5, branched-chain saturated fatty acid. It has a role as a plant metabolite and a mammalian metabolite. It is a short-chain fatty acid, a methylbutyric acid and a branched-chain saturated fatty acid. It is a conjugate acid of an isovalerate.
Isovaleric acid Basic Attributes
102.13
102.13
1098522
207-975-3
1BR7X184L5
62783
2810|1760
DTXSID5029182
Colorless liquid
2915900090
Characteristics
37.3
1.2
Clear colorless to slightly yellow Liquid
0.931 g/cm3 @ Temp: 20 °C
-29.3 °C
176.5 °C @ Press: 760 Torr
159 °F
1.418
H2O: 25 g/L (20 ºC)
Store below +30°C.
0.38 mm Hg ( 20 °C)
Oral-Rat LD50: 2000 mg/kg
Combustible in case of open flame, high temperature, strong oxidant; burning emits irritating smoke
1.5-6.8%(V)
DISAGREEABLE, RANCID-CHEESE ODOR
ACID TASTE
4.77(at 20 °C)
8.33e-07 atm-m3/mole|Henry's Law constant = 8.33X10-7 atm cu-m/mol @ 25 °C
pKa = 4.77 @ 25 °C
FORMS HYDRATE WITH 30 PARTS WATER|VAPOR PRESSURE: 1 MM HG @ 34 °C
It is slightly soluble in water.
Acids, Carboxylic
ISOPENTANOIC 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 it 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.
12,951.1 GCAL/GMOL
Safety Information
III
6.1
UN 3265 8/PG 2
1
34-24-22
26-36/37/39-45-38-28A
NY1400000
C,T
Complete packaging, light loading and unloading; warehouse ventilated, away from open flame, high temperature, and stored separately from oxidant
P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338
H314
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Isovaleric acid is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient.
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2016)|Corrosives, Flammable - 2nd degree
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 1783 companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: SMALL FIRE: Dry chemical, CO2 or water spray. LARGE FIRE: Dry chemical, CO2, alcohol-resistant foam or water spray. Move containers from fire area if you can do it without risk. Dike fire-control water for later disposal; do not scatter the material. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. (ERG, 2016)
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2016)
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. (ERG, 2016)
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Health: TOXIC; 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. /Corrosive liquid, NOS/|/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Fire or Explosion: Non-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. /Corrosive liquid, NOS/|/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas. /Corrosive liquid, NOS/|/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. /Corrosive liquid, NOS/|For more DOT Emergency Guidelines (Complete) data for ISOVALERIC ACID (8 total), please visit the HSDB record page.
Isovaleric acid was detected in garden waste exudate and kitchen waste exudate at unspecified concentrations(1,2). Isovaleric acid was detected in raw and processed waste water from the Lurgi-Process Plant in Sasolburg, South Africa at concentrations of 1 and 5 mg/l, respectively(3). Isovaleric acid was detected in primary and secondary effluents from four sewage treatment plants at concentrations ranging from 17 to 541 ug/l and 0.8 to 524 ug/l, respectively(4). A combined concentration of 151 mg/l of isovaleric acid and 2-methylbutanoic acid was detected in oil-shale process retort water samples from the Occidental Oil Shale, Inc facility at Logan Wash, CO in 1979(5). Groundwater samples contaminated by wood-preserving chemicals in Pensacola, FL contained isovaleric acid at concentrations of 2.01, 0.78, 0.59 mg/l at 6.1, 3.3, and 5.8 m below the surface, respectively(6). Groundwater samples from a landfill well in Norman, OK contained isovaleric acid at an estimated concentration of 0.7 mg/l(7). Isovaleric acid was detected in effluent from a publicly owned treatment works facility located in an industrial area of NJ (industrial contribution to influent is 18%) at a concentration of 35 ppb(8). Isovaleric acid was identified in trench leachate samples collected from low-level radioactive waste disposal sites at Maxey Flats, KY and West Valley, NY at concentrations ranging from 1.8 to 17 mg/l(9).
URBAN/SUBURBAN: The average daytime atmospheric concentration of isovaleric acid between July and August 1986 was 0.01 ppb in Fukaya, Japan and Takasaki, Japan(1).
Toxicity
moderately toxic
LD50 Rabbit skin 310 mg/kg|LD50 Rabbit skin 3560 mg/kg|LD50 Rat oral <3200 mg/kg|LD50 Rat oral 2000 mg/kg|For more Non-Human Toxicity Values (Complete) data for ISOVALERIC ACID (6 total), please visit the HSDB record page.
ORIGINALLY REPORTED IN SEAL & DOLPHIN FAT; SUBSEQUENTLY ISOLATED FROM VALERIAN. ALSO REPORTED FOUND IN ESSENTIAL OILS OF: CYPRESS, CITRONELLA, LAUREL LEAVES, CAJEPUT, CYMBOPOGON JAVANENSIS, HOPS, PERSEA PUBESCENS, GERANIUM, AMERICAN PEPPERMINT, NIAOULI, SPEARMINT, ROSEMARY, LEMONGRASS, EUCALYPTUS GONIOCALYX AND OTHER SPECIES, TOBACCO, MONARDA FISTULOSA, THYMUS MASTICHINA, ARTEMISIA FRIGIDA, & PROBABLY IN LAVENDER. /ALSO/...AMONG CONSTITUENTS OF PETITGRAIN LEMON.|Isovaleric acid occurs in hop oil, tobacco and several other plants(1).
Isovaleric acid's production and use in medicine, flavors, perfumes(1), as a chemical intermediate in fungicides, rodenticides, sedatives, narcotics, and other drugs(2) may result in its release to the environment through various waste streams(SRC).
TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 100(SRC), determined from a measured log Kow of 1.16(2) and a recommended regression-derived equation(3), indicates that isovaleric acid is expected to have high mobility in soil(SRC). Volatilization of isovaleric acid may be important from moist soil surfaces(SRC) given a measured Henry's Law constant of 8.33X10-7 atm-cu m/mole(4). Isovaleric acid's pKa of 4.78 suggests this process may be attenuated under environmental pHs(6,SRC). Isovaleric acid is not expected to volatilize from dry soil surfaces based it's vapor pressure of 0.44 mm Hg(5). Isovaleric acid was degraded in anaerobic and aerobic biodegradation studies(7,8). A biodegradation study based on oxygen depletion measurements, using a sewage seed and a chemical concentration of 2.0 mg of carbon/l, indicate that isovaleric acid is readily biodegraded(7). An initial isovaleric acid concentration of 30 mg carbon/l was anaerobically biodegraded 91% after 21 days incubation in synthetic sewage(8).|AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 100(SRC), determined from a measured log Kow of 1.16(2) and a recommended regression-derived equation(3), indicates that isovaleric acid is not expected to adsorb to suspended solids and sediment in water(SRC). Isovaleric acid may volatilize from water surfaces(3,SRC) based on a measured Henry's Law constant of 8.33X10-7 atm-cu m/mole(4). Estimated volatilization half-lives for a model river and model lake are 45 and 330 days, respectively(3,SRC). However, a pKa of 4.78 for isovaleric acid(6) indicates that isovaleric acid will not significantly volatilize from water as it will exist predominately in the ionic form under environmental pHs(SRC). According to a classification scheme(5), an estimated BCF value of 4.5(3,SRC), from a measured log Kow(2), suggests that bioconcentration in aquatic organisms is low(SRC). Isovaleric acid was degraded in anaerobic and aerobic biodegradation studies(7,8). A biodegradation study based on oxygen depletion measurements, using a sewage seed and a chemical concentration of 2.0 mg of carbon/l, indicate that isovaleric acid is readily biodegraded(7). An initial isovaleric acid concentration of 30 mg carbon/l was anaerobically biodegraded 91% after 21 days incubation in synthetic sewage(8).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isovaleric acid, which has a measured vapor pressure of 0.44 mm Hg at 25 °C(2,SRC), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isovaleric acid is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 3.9 days(3,SRC).
The rate constant for the vapor-phase reaction of isovaleric acid with photochemically-produced hydroxyl radicals has been estimated as 4.1X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 3.9 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). Isovaleric acid is not expected to undergo hydrolysis(SRC) due to lack of functional groups to hydrolyze(2). The rate constant for the reaction of isovaleric acid with hydroxyl radicals in aqueous solution at pH 1 has been measured as 1.1X10+9 L/mol sec(3). This corresponds to a half-life of about 2 years(SRC) at an average aqueous hydroxyl radical concentration of 1X10-17 mol/l(4).
An estimated BCF value of 4.5 was calculated for isovaleric acid(SRC), using a measured log Kow of 1.16(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is low(SRC).
The Koc of isovaleric acid is estimated as approximately 100(SRC), using a measured log Kow of 1.16(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that isovaleric acid is expected to have high mobility in soil(SRC).
The Henry's Law constant for isovaleric acid was measured as 8.33X10-7 atm-cu m/mole(1). This value indicates that isovaleric acid will volatilize slowly from water surfaces(2,SRC). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 45 days(2,SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 330 days(2,SRC). In addition, a pKa of 4.78 for isovaleric acid(3) indicates that isovaleric acid will not significantly volatilize from water as it will exist predominately in the ionic form under environmental pHs(SRC). Isovaleric acid's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Isovaleric acid is not expected to volatilize from dry soil surfaces(SRC) based on a measured vapor pressure of 0.44 mm Hg(4).
SURFACE WATER: Isovaleric acid was detected in the Ohio and Little Miami Rivers, downstream from an unspecified municipality, at concentrations ranging from 0.1 ug/l in the Ohio River to 1.7 ug/l in the Little Miami River(1). Isovaleric acid was detected in the Ohio and Little Miami Rivers, upstream from an unspecified municipality, at concentrations ranging from 0.2 ug/l in the Little Miami River to 0.3 ug/l in the Ohio River(1). Isovaleric acid was identified in Tanners Creek at a concentration of 0.2 ug/l(1).|DRINKING WATER: Isovaleric acid was quantitatively detected in drinking water in Cincinnati, OH in 1978 and 1980, Miami, FL in 1976, New Orleans, LA in 1976, Philadelphia, PA in 1976, Ottumwa, IA in 1976 and in Seattle, WA in 1976(1).
Isovaleric acid was quantitatively detected in dry-cured Parma hams(1). Isovaleric acid was identified as a volatile compound in chicken flavor, chicken meat(2), and fried chicken flavor(3).
NIOSH (NOES Survey 1981-1983) has statistically estimated that 6,692 workers (1,037 of these are female) are potentially exposed to isovaleric acid in the US(1). Occupational exposure may be through inhalation and dermal contact with isovaleric acid at workplaces where isovaleric acid is produced or used(SRC). The general population may be exposed to isovaleric acid via inhalation of tobacco smoke or ingestion of food or drinking water(SRC).
Drug Information
It is readily absorbed from the gastrointestinal tract in man.
In contrast to valeric acid, isovaleric acid is ketogenic. ...Is metabolized by the liver to give two- and three-carbon fragments. The isopropyl fragment of isovaleric acid is readily converted to acetoacetate and is an efficient source of carbon atoms for fatty acid and cholesterol synthesis. Isovaleric acid ... has been identified in the fermentative organs of ruminant animals.|Isovaleric acid is an intermediate in leucine metabolism. High blood concentrations of isovaleric acid occur in patients with the clinical disorder "isovaleric acidemia." This is a genetic defect of leucine metabolism in which the enzyme isovaleryl-coenzyme A dehydrogenase is inhibited or absent. The disease is characterized by episodic acidosis, slight mental retardation, and an unpleasant body odor.|RATS RECEIVING LABELED ISOVALERIC ACID EXCRETED NONRADIOACTIVE ISOVALTHINE.|Isovalerate given iv to normal rats was rapidly metabolized, with a 50% decr in plasma concn after 11 min, and this time was shortened to 5 min by the simultaneous admin of glycine. The hypoglycin metabolite methylenecyclopropylacetate-CoA inhibited butyryl-CoA dehydrogenase and isovaleryl-CoA dehydrogenase in liver.|Gas chromatographic and mass spectrometric parameters of isovaleryl-beta-D-glucuronide, a new metabolite in the urine of patients with isovaleric acidemia, were presented. The significance of this metabolite for the detoxication of isovalerate in isovaleric acid media is discussed.
(14)C-LABELED ISOVALERIC ACID ADMIN ORALLY TO RATS SHOWED ISOPROPYL GROUP WAS MORE EFFICIENTLY UTILIZED FOR CHOLESTEROL SYNTH THAN CARBOXYL GROUPS, & ALSO MORE EFFICIENTLY UTILIZED THAN FATTY ACID SYNTH. CLEAVAGE OF ACID INTO 2 FRAGMENTS OCCURS BEFORE CHOLESTEROL SYNTH. (14)C-LABELED ISOVALERIC ACID ADMIN ORALLY TO RATS APPEARS TO ENHANCE THE INCORPORATION OF CARBON DIOXIDE INTO CHOLESTEROL.|All liver mitochondrial preparations were affected by 1.19 mM isovalerate. Isovaleryl CoA is a potent inhibitor of succinate:CoA ligase (SCL) with positive cooperativity and half-maximal inhibition at 273 +/-11 uM isovaleryl CoA. The investigators suggested that inhibition of the citric acid cycle at the SCL step may be a general mechanism of organic acid toxicity to mitochondria.
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: TOXIC; 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. (ERG, 2016)
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim calm and warm. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. (ERG, 2016)
A SINGLE DOSE OF HYPOGLYCIN A, MARKEDLY INCREASED RAT PLASMA ISOVALERIC ACID CONCN, & ALPHA-METHYLBUTYRIC ACID, A POSITION ISOMER, ACCUMULATED. ACCUMULATION OF THESE BRANCHED PENTANOIC ACIDS MAY CONTRIBUTE TO PATHOGENESIS OF JAMAICAN VOMITING SICKNESS.
3-methylbutyrate
Isovaleric acid Use and Manufacturing
From the oxidation of isoamyl alcohol or isovaleraldehyde. It is obtained by direct fractionation of valerian.
In flavors, perfumes, manufacture of sedatives.
Intermediates
Petroleum lubricating oil and grease manufacturing|Butanoic acid, 3-methyl-: ACTIVE|"VALERIC" ACID OF COMMERCE IS ISOVALERIC ACID.|OF THE 3 POSSIBLE ISOMERS OF N-VALERIC ACID, ONLY ISOVALERIC ACID FINDS EXTENSIVE APPLICATION IN FLAVORING. ... REPORTED USES /IN/ NON-ALCOHOLIC BEVERAGES: 1.2 PPM; ICE CREAMS, ICES: 14 PPM; CANDY: 12 PPM; BAKED GOODS: 5.5 PPM; CHEESE: 2.4 PPM.
Volatile fatty acids were determined by gas chromatography after a rapid distillation of wastes.|A gas chromatogaphic method for the determination of lower fatty acids as odor pollutants was discussed.|Determination of volatile fatty acids and lactic acids in silage by improved gas liquid chromatography was discussed.|Samples were collected using 1% Sr(OH)2 coated on glass beads. The lower fatty acids (C2-C5) trapped on the adsorbent were regenerated with formic acid-aq soln in the gas phase under nitrogen carrier gas flow and were detected with a flame ionization detector. The minimum detectable concn was 0.5 part/trillion for isovaleric acids.|The C2-C5 fatty acids were determined in ambient air near and in exhaust gases of some odor sources by gas-chromatographic method. The sample vol was greater than 0.4 L and the detection limit was 0.5 ppb.
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]|Fire Hazards -> Corrosives, Flammable - 2nd degree
Flavoring Agents
Computed Properties
Molecular Weight:102.13
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:102.068079557
Monoisotopic Mass:102.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:7
Complexity:66.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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