PRODUCTS

VALERIC ACID

CAS NUMBER: 109-52-4

EC NUMBER: 203-677-2

MOLECULAR FORMULA: C5H10O2

MOLECULAR WEIGHT: 102.13

Valeric Acid is a straight-chain saturated fatty acid containing five carbon atoms.
Valeric Acid has a role as a plant metabolite.
Valeric Acid is a short-chain fatty acid and a straight-chain saturated fatty acid.
Valeric Acid is a conjugate acid of a valerate.

Valeric Acid appears as a colorless liquid with a penetrating unpleasant odor.
Valeric Acid or pentanoic acid is a straight chain alkyl carboxylic acid.
Valeric Acid has an unpleasant odor like other low molecular weight carboxylic acids.
Valeric Acid is found in the perennial flowering plant Valeriana officinalis, from which it is named.

The primary use of Valeric Acid is in the synthesis of its esters.
Salts and esters of Valeric Acid are known as valerates or pentanoates.
Volatile esters of Valeric Acid tend to have pleasant odors.
Valeric Acid is used in perfumes and cosmetics.

Valeric acid or Valeric Acid is a straight-chain alkyl carboxylic acid with the chemical formula CH3(CH2)3COOH.
Like other low-molecular-weight carboxylic acids, it has an unpleasant odor.
Valeric Acid is found in the perennial flowering plant Valeriana officinalis, from which it gets its name.

Valeric Acids primary use is in the synthesis of its esters.
Salts and esters of valeric acid are known as valerates or pentanoates.
Volatile esters of valeric acid tend to have pleasant odors and are used in perfumes and cosmetics.
Several, including ethyl valerate and pentyl valerate are used as food additives because of their fruity flavors.

Valeric Acid is a minor constituent of the perennial flowering plant valerian (Valeriana officinalis), from which it gets its name.
The dried root of this plant has been used medicinally since antiquity.
The related isovaleric acid shares its unpleasant odor and their chemical identity was investigated by oxidation of the components of fusel alcohol, which includes the five-carbon amyl alcohols.

Valeric acid is one volatile component in swine manure.
Other components include other carboxylic acids, skatole, trimethyl amine, and isovaleric acid.
Valeric Acid is also a flavor component in some foods.

A few, including the Valeric Acid derivative, Ethyl valerate, and pentyl valerate, are used as food additives because of their fruity flavors.
Valeric Acid reacts as a typical carboxylic acid.
Valeric Acid is produced by the oxo process from 1-butene and syngas, forming valeraldehyde, which is oxidised to the final product.
Valeric Acid can also be produced from biomass-derived sugars via levulinic acid and this alternative has received considerable attention as a way to produce biofuels

Valeric Acid occurs naturally in some foods.
Valeric Acid is also used as a food additive.
Valeric Acid is used for the preparation of derivatives, especially volatile esters, which, unlike the parent acid, have pleasant odors and fruity flavors.
Valeric Acid therefore finds application in perfumes, cosmetics and foodstuffs.

Valeric acid occurs naturally in some foods but is also used as a food additive.
Valeric Acids safety in this application was reviewed by an FAO and WHO panel, who concluded that there were no safety concerns at the likely levels of intake.
The compound is used for the preparation of derivatives, notably its volatile esters which, unlike the parent acid, have pleasant odors and fruity flavors and hence find applications in perfumes, cosmetics and foodstuffs.
Typical examples are the methyl valerates,ethyl valerates, and pentyl valerates

In humans, valeric acid is a minor product of the gut microbiome and can also be produced by metabolism of its esters found in food.
The restoration of levels of this acid in the gut has been suggested as the mechanism that results in control of Clostridioides difficile infection after fecal microbiota transplant.

Valerate Salts and Esters:
The valerate, or pentanoate, ion is C4H9COO−, the conjugate base of valeric acid.
Valeric Acid is the form found in biological systems at physiological pH.
A valerate, or pentanoate, compound is a carboxylate salt or ester of valeric acid.
Many steroid-based pharmaceuticals, for example ones based on betamethasone or hydrocortisone, include the steroid as the valerate ester.

Valeric acid is a straight-chain saturated fatty acid containing five carbon atoms.
Valeric Acid has a role as a plant metabolite.
Valeric Acid is a short-chain fatty acid and a straight-chain saturated fatty acid.

Valeric Acid is a minor product of the human gut microbiome.
Valeric Acid can also be produced by the metabolism of its esters in food.
Valeric Acid is used to make some hormonal supplements.
Valeric Acid can be used in the manufacture of products such as aroma and perfume.

Valeric Acid is used as an intermediate in the manufacture of ester type lubricants, plasticizers and vinyl stabilizers.
Valeric Acid is a food additive used as a synthetic sweetener and adjuvant.
Valeric Acid is a water-soluble compound.
Valeric Acid is a compound that should be stored in a cool and dry place.

Valeric Acid needs to be kept away from strong oxidizing agents.
Valeric Acid stimulates protein biosynthesis.
Valeric Acid reduces lactate output and increases rest in cardiac tissue.
Valeric Acid is used as an energy source in some living things.
Valeric Acid is orally active.

Valeric Acid is a conjugate acid of a valerate.
Valeric Acid appears as a colorless liquid with a penetrating unpleasant odor.

-Density 0.94 g / cm3
-Freezing point -93.2°F (-34°C)
-Boiling point 365.7°F (185.4°C)
-Flash point 192°F (88.9° C)
-Corrosive to metals and tissue

Metabolism/Metabolites:
It is metabolized by splitting into acetic acid and pyruvic acid.
Labeled valeric acid was incubated with mixed culture of cellulolytic rumen bacteria resulting in the labeling of lipids.
The distribution of radioactivity indicated that 1-(14)C-labeled valeric acid was not utilized directly for biosynthesis of higher fatty acids with odd number of carbon atoms by the addition of 2 C, but it was probably degraded into 1-(14)C-labeled acetic acid and into propionic acid.

Valeric acid is formed by rumen microorganisms during the metabolism of proline, leucine, isoleucine, norleucine, and several intermediates of carbohydrate metabolism.
Valeic Acid is rapidly metabolized in rat liver to acetate and propionate, giving rise to both glycogen and ketone bodies. This same route of metabolism also predominates in rumen microorganisms.

Valeric Acid is a colorless, oily liquid.
Valeric Acid exists in four isomeric forms, one of which contains an asymmetric carbon atom and consequently occurs in two optically active modifications and one optically inactive modification.
Valeric Acid is naturally found free or as esters in plant and animal structures.
Valeric Acid and its esters are an indispensable substance used in the manufacture of some products, mainly in perfumes and cosmetics.

Reactivity Profile:

Valeic Acid is a carboxylic acid.
Exothermically neutralizes bases, both organic and inorganic, producing water and a salt.
Can react with active metals to form gaseous hydrogen and a metal salt.

Reacts with cyanide salts to generate gaseous hydrogen cyanide.
Flammable and/or toxic gases and heat are generated by reaction with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides.
Reacts with sulfites, nitrites, thiosulfates and dithionites 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 by strong oxidizing agents and reduced by strong reducing agents.
These reactions generate heat.

FDA Requirements:

Valeric 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
They are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice
They consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.

Valeric Acid's production and use as chemical intermediate and sugarcane ripening agent may result in its release to the environment through various waste streams.
Valeric Acid is found in the essential oil of Boronia anemonifolia, pineapple fruits, and dalieb fruit pulp.

If released to air, an estimated vapor pressure of 1.96X10-1 mm Hg at 25 °C indicates Valeric Acid will exist solely as a vapor in the atmosphere.
Vapor-phase Valeric Acid will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 4.11X10-12 cu cm/molec-sec.
If released to soil, Valeric Acid is expected to have high mobility based upon an estimated Koc of 140.

The pKa of Valeric Acid is 4.84, indicating that this compound will partially exist in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts.
Volatilization from moist soil surfaces is not expected to be an important fate process based upon a Henry's Law constant of 4.72X10-7 atm-cu m/mole.
Valeric Acid is not expected to volatilize from dry soil surfaces based upon its vapor pressure.

Valeric Acid is expected to be readily biodegradable in most environmental conditions based on the results of a sewage sludge inoculum test where Valeric Acid reached 68% of its theoretical BOD in 5 days.
If released into water, Valeric Acid is not expected to adsorb to suspended solids and sediment based upon the Koc.
Volatilization from water surfaces is not expected to be an important fate process based upon this compound's Henry's Law constant.

An estimated BCF of 7 suggests the potential for bioconcentration in aquatic organisms is low.
Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions.

Occupational exposure to Valeric Acid may occur through dermal contact with this compound at workplaces where Valeric Acid is produced or used.
Monitoring data indicate that the general population may be exposed to Valeric Acid via inhalation of ambient air, ingestion of food and drinking water, and dermal contact with this compound and other products containing Valeric Acid.
Valeric Acid was widely detected in a variety of effluent sources ranging from wastewater from industrial areas and radioactive material disposal sites and in landfill leachates.

Environmental Fate:
Based on a classification scheme, an estimated Koc value of 140(SRC), determined from a log Kow of 1.39(2) and a regression-derived equation(3), indicates that Valeric Acid is expected to have high mobility in soil(SRC).
The pKa of Valeric Acid is 4.84, indicating that this compound will partially exist in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts.

Volatilization of Valeric Acid from moist soil surfaces is not expected to be an important fate process(SRC) given a Henry's Law constant of 4.72X10-7 atm-cu m/mole(6).
Valeric Acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.96X10-1 mm Hg(7).
Valeric Acid is expected to be readily biodegradable in most environmental conditions based on several biodegradation tests where Valeric Acid reached 43%(8) to 68%(9) of its theoretical BODs in sewage inoculum after 5 days.

Environmental Abiotic Degradation:
The rate constant for the vapor-phase reaction of Valeric Acid with photochemically-produced hydroxyl radicals has been estimated as 4.11X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method.

This corresponds to an atmospheric half-life of about 3.9 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm.
Valeric Acid is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions

Volatilization from Water/Soil:
The Henry's Law constant for Valeric Acid is 4.72X10-7 atm-cu m/mole.

May initiate polymerization reactions.
May catalyze (increase the rate of) chemical reactions.

Valeric Acid is used as food additives because of the fruity flavor of esters.
Valeric Acid is a compound used as a plasticizer and pharmaceutical.
Valeric Acid is a compound that can be extracted from the roots of the Valeriana plant with boiling water or soda.
Valeric Acidcan also be obtained by oxidizing fermentation amyl alcohol with chromic acid.

Valeric Acidcan be formed by microorganisms during anaerobic fermentation of CO2 and H2 and by fermentation of other carbon sources such as wastewater solids.
Valeric Acidis used as an intermediate in the manufacture of vinyl stabilizers.
Valeric Acid is a widely known substance in the industry as it is a food additive used as a synthetic flavoring agent and adjuvant.

This Henry's Law constant indicates that Valeric Acid is expected to be essentially nonvolatile from water surfaces.
Volatilization of the ionized form from water surfaces is not expected to be an important fate process(SRC).
Valeric Acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.96X10-1 mm Hg.

USES OF VALERIC ACID:

Valeric Acid is a compound used as a plasticizer and pharmaceutical.
Valeric Acid is a substance often used in the manufacture of flavored foods.
Valeric Acid is used in the making of perfumes and is of the oil type.
Valeric Acid is used as ester type lubricants.

Valeric Acid can be used in some stages in the production of plasticizers.
Valeric Acid is used in industry in the production of vinyl stabilizers.
Valeric Acid is used as a synthetic flavoring agent in food production facilities.
The primary use of Valeric Acid is in the synthesis of its esters.

Valeric Acid is used in perfumes and cosmetics.
Valeric Acid is also used as a food additive.
Valeric Acid is used for the preparation of derivatives, especially volatile esters, which, unlike the parent acid, have pleasant odors and fruity flavors.
Valeric Acid can used in perfumes, cosmetics and foodstuffs.

Valeric Acid is used to make some hormonal supplements.
Valeric Acid can be used in the manufacture of products such as aroma and perfume.
Valeric Acid is used as an intermediate in the manufacture of ester type lubricants, plasticizers and vinyl stabilizers.
Valeric Acid is used as an energy source in some living things.
Valeric Acid is used as food additives because of the fruity flavor of esters.

APPLICATIONS OF VALERIC ACID:

-Plastic Industry

-Manufacture of pharmaceutical products

-Organic chemistry laboratories

-Aroma-based products

-Food industry

-Perfumery

-Fragrant spray production

-Some oil-based products

-Ester type lubricant manufacture

-Plasticizer production

-Vinyl stabilizer production

-Synthetic substances

-Synthesis of esters

-Cosmetics industry

-Food supplement manufacture

Valeric acid or pentanoic acid is a straight-chain alkyl carboxylic acid with the chemical formula CH3(CH2)3COOH.
Like other low-molecular-weight carboxylic acids, it has an unpleasant odor.
Valeric Acid is found in the perennial flowering plant Valeriana officinalis, from which it gets its name.

Valeric acid is a colorless, oily liquid with an unpleasant odor.
Valeric Acid is highly corrosive and must be handled with care.

Valeric acid is mainly used as a chemical intermediate to manufacture flavors and perfumes, synthetic lubricants, agricultural chemicals, and pharmaceuticals.
Valeric Acid is also used as a flavoring aid in foods.
Valeric acid is considered safe as a food additive by the World Health Organization.

Valeric Acid is a substance derived from valerian or made synthetically.
Valeric Acid is a colorless, liquid acid especially used in organic synthesis.
Valeric Acid is an ineffective ingredient in pest control.

PHYSICAL PROPERTIES OF VALERIC ACID:

Color: Colorless

Density: 0.939 g/cm3

Melting point: −34.5 °C

Boiling point: 186.1 °C

Flash Point: 86 °C

Solubility in water: 4.97 g/100 mL

Molecular Weight: 102.13

Exact Mass: 102.068079557

Monoisotopic Mass: 102.068079557

Physical Description: liquid

Odor: lightly scented

Taste: Fruity taste

Vapor Density: 3.52

Vapor Pressure: 0.20 mmHg

Viscosity: 2.30 cP

CHEMICAL PROPERTIES OF VALERIC ACID:

Heat of Combustion: -2,837.8 kJ/mole

Henrys Law Constant: 4.72e-07 atm-m3/mole

Autoignition Temperature: 400 °C

XLogP3: 1.4

Hydrogen Bond Donor Count: 1

Hydrogen Bond Acceptor Count: 2

Rotatable Bond Count: 3

Acidity (pKa): 4.82

Magnetic susceptibility (χ): -66.85·10−6 cm3/mol

Covalently-Bonded Unit Count: 1

Compound Is Canonicalized: Yes

Topological Polar Surface Area: 37.3 Å²

Heavy Atom Count: 7

Formal Charge: 0

Complexity: 59.1

STORAGE OF VALERIC ACID:

Valeric Acid should be stored in tightly closed containers.
Valeric Acid should be stored in a cool environment.
Valeric Acid should be kept in a well-ventilated environment.
Valeric Acid should not be stored in the same environment with flammable materials.

Valeric Acid must be stored separately from strong bases.
Valeric Acid can be kept at average cool room temperature.
Valeric Acid should preferably be stored below +30°C.

Valeric Acid should be kept away from temperatures that can reach its flash point.
Valeric Acid can be stored in glass bottles.
Valeric Acid can also be kept in strong plastic bottles compatible with acids.

SYNONYMS:

1-Butanecarboxylate
1-Butanecarboxylic acid
1-pentanoate
1-pentanoic acid
Butanecarboxylate
Butanecarboxylic acid
CH3-[CH2]3-COOH
Kyselina valerova
n-BuCOOH
n-C4H9COOH
n-Pentanoate
n-Pentanoic acid
n-Valerate
n-Valeric Acid
Pentanoate
Pentanoic acid
pentoate
pentoic acid
Propylacetate
Propylacetic acid
Valerate
Valerianate
Valerianic acid
Valeriansaeure
Valeriansaure
Valeric Acid
Valeric Acid normal
Valeric Acid, n-
Valeric Acid, normal
Valerate, normal
N-Pentanoic acid, ammonium salt
N-Pentanoic acid, potassium salt
N-Pentanoic acid, sodium salt
N-Pentanoic acid, zinc salt
N-Pentanoic acid, maganese (+2) salt
N-Pentanoic acid, 11C-labeled
Lithium pentanoate
N-Pentanoic acid, 11C-labeled sodium salt