79-31-2

  • Product Name:Isobutyric Acid
  • Molecular Formula:C4H8O2
  • Purity:99%
  • Molecular Weight:88.1063
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Product Details

Cost-effective and customizable Isobutyric Acid 79-31-2 in stock

  • Molecular Formula:C4H8O2
  • Molecular Weight:88.1063
  • Appearance/Colour:clear colorless liquid 
  • Vapor Pressure:1.5 mm Hg ( 20 °C) 
  • Melting Point:-47 °C 
  • Refractive Index:n20/D 1.393(lit.)  
  • Boiling Point:155.2 °C at 760 mmHg 
  • PKA:4.84(at 20℃) 
  • Flash Point:58.2 °C 
  • PSA:37.30000 
  • Density:0.983 g/cm3 
  • LogP:0.72700 

Isobutyric acid(Cas 79-31-2) Usage

Physical properties

Isobutyric Acid is a flavoring agent that is a colorless liquid with a strong, penetrating odor, resembling butter. it is miscible in alcohol, propylene glycol, glycerin, mineral oil, and most fixed oils and soluble in water. it is obtained by chemical synthesis. it is also termed isopropylformic acid.

Preparation

Isobutyric acid is prepared in a similar way to butyric acid, mainly by direct oxidation of isobutanol and isobutyraldehyde, which is obtained by a direct oxidation reaction with air or oxygen.

Application

Isobutyric acid is mainly used in the synthesis of isobutyric acid esters, such as methyl isobutyrate, propyl ester, isoamyl ester and benzyl ester. It can also be used manufacture of esters for solvents, flavors and perfume bases, disinfecting agent, varnish, plasticizers, deliming hides, tanning agent and used in pharmaceutical. Isobutyric acid has some important derivatives that, in the industry, is actually used for the production of isobutyronitrile intermediates, and then converted to isobutylamidine hydrochloride that is the raw materials of pesticide diazinon.

Definition

ChEBI: Isobutyric acid is a branched fatty acid comprising propanoic acid carrying a methyl branch at C-2. It has a role as a volatile oil component, a plant metabolite and a Daphnia magna metabolite. It is a branched-chain saturated fatty acid, a methyl-branched fatty acid and a fatty acid 4:0. It is a conjugate acid of an isobutyrate.

Aroma threshold values

Detection: 10 ppb to 9.5 ppm; aroma characteristics at 10 ppm: acidic pungent, dairy buttery and cheesy with fruity undertones.

Taste threshold values

Taste characteristics at 15 ppm: acidic, sour dairy, creamy, cheese, cultured dairy nuance.

General Description

Isobutyric acid appears as a colorless liquid with a light odor of rancid butter. Flash point 132°F. Density 7.9 lb / gal. Corrosive to metals and tissue.

Air & Water Reactions

Flammable. Water soluble

Reactivity Profile

Isobutyric acid corrodes aluminum and other metals. Flammable hydrogen gas may accumulate in enclosed spaces in which this reaction has taken place [USCG, 1999].

Health Hazard

Inhalation causes irritation of nose and throat. Ingestion causes irritation of mouth and stomach. Contact with eyes or skin causes irritation.

Fire Hazard

Flammable/combustible material. May be ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

Biochem/physiol Actions

Odor at 10 ppm

Synthesis

The preparation of isobutyric acid is similar with butyric acid, which is performed by the direct oxidation of isobutyl alcohol and isobutyraldehyde. Isobutyric acid can be directly generated from the oxidation of isobutyraldehyde in air or oxygen. Other manufacturing methods have isobutyronitrile hydrolysis and methacrylic acid hydrogenation. The oxidation of 2-methyl-1-nitropropane to prepare isobutyric acid can also obtain a higher yield. The purification of Isobutyric acid can be realized by azeotropic distillation with water, and anhydrous isobutyric acid can be obtained by the extractive distillation from carbon tetrachloride. Propylene and formic acid ester can react at 50 °C with the catalysis of hydrofluoric acid to generate methyl isobutyrate and propyl isobutyrate.

Purification Methods

Distil the acid from KMnO4, then redistil it from P2O5. [Beilstein 2 H 288, 2 I 126, 2 II 257, 2 III 637, 2 IV 843.]

InChI:InChI=1/2C4H8O2/c2*1-3(2)4(5)6/h2*3H,1-2H3,(H,5,6)

79-31-2 Relevant articles

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Simons,Werner

, p. 1356 (1942)

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79-31-2 Process route

C<sub>36</sub>H<sub>60</sub>O<sub>30</sub>*C<sub>4</sub>H<sub>8</sub>O<sub>2</sub>

C36H60O30*C4H8O2

isobutyric Acid
79-31-2

isobutyric Acid

alpha cyclodextrin
10016-20-3

alpha cyclodextrin

Conditions
Conditions Yield
With phosphate buffer; In water-d2; at 25 ℃; Equilibrium constant; Thermodynamic data; standard molar enthalpy ΔrH0;
D-sorbitol
50-70-4

D-sorbitol

tetrahydrofuran
109-99-9,24979-97-3,77392-70-2

tetrahydrofuran

TETRAHYDROPYRANE
142-68-7

TETRAHYDROPYRANE

2-methyltetrahydrofuran
96-47-9

2-methyltetrahydrofuran

2,5-dimethyltetrahydrofuran
1003-38-9

2,5-dimethyltetrahydrofuran

methanol
67-56-1

methanol

propan-1-ol
71-23-8

propan-1-ol

2-Methylcyclopentanone
1120-72-5

2-Methylcyclopentanone

3-methyl-cyclopentanone
1757-42-2,6195-92-2

3-methyl-cyclopentanone

propylene glycol
57-55-6,63625-56-9

propylene glycol

ethanol
64-17-5

ethanol

n-hexan-3-ol
623-37-0

n-hexan-3-ol

2-methylpentan-1-ol
105-30-6

2-methylpentan-1-ol

(S)-Ethyl lactate
687-47-8

(S)-Ethyl lactate

pentan-1-ol
71-41-0

pentan-1-ol

vinyl formate
692-45-5

vinyl formate

n-hexan-2-one
591-78-6

n-hexan-2-one

n-hexan-3-one
589-38-8

n-hexan-3-one

Isopropyl acetate
108-21-4

Isopropyl acetate

3-Hydroxy-2-pentanone
3142-66-3,113919-08-7

3-Hydroxy-2-pentanone

acetic acid
64-19-7,77671-22-8

acetic acid

propionaldehyde
123-38-6

propionaldehyde

2-Pentanone
107-87-9

2-Pentanone

propionic acid
802294-64-0,79-09-4

propionic acid

1-Hydroxy-2-butanone
5077-67-8

1-Hydroxy-2-butanone

2,5-hexanedione
110-13-4

2,5-hexanedione

isopropyl alcohol
67-63-0,8013-70-5

isopropyl alcohol

acetone
67-64-1

acetone

glycerol
56-81-5,25618-55-7,64333-26-2,8013-25-0

glycerol

pentan-3-one
96-22-0

pentan-3-one

isobutyric Acid
79-31-2

isobutyric Acid

butanone
78-93-3

butanone

iso-butanol
78-92-2,15892-23-6

iso-butanol

hexanoic acid
142-62-1

hexanoic acid

Isosorbide
652-67-5

Isosorbide

butyric acid
107-92-6

butyric acid

2.3-butanediol
513-85-9

2.3-butanediol

hexan-1-ol
111-27-3

hexan-1-ol

valeric acid
109-52-4

valeric acid

Conditions
Conditions Yield
platinum on carbon; In water; for 3h; Direct aqueous phase reforming;

79-31-2 Upstream products

  • 71-23-8
    71-23-8

    propan-1-ol

  • 64-18-6
    64-18-6

    formic acid

  • 56-23-5
    56-23-5

    tetrachloromethane

  • 117746-80-2
    117746-80-2

    benzalhydrazone of hydrazinoisobutyric acid

79-31-2 Downstream products

  • 2850-40-0
    2850-40-0

    8-Isopropyl-theophyllin

  • 7137-29-3
    7137-29-3

    isobutyric acetic anhydride

  • 6876-49-9
    6876-49-9

    N-(4-methylphenyl)-2,2-dimethylacetamide

  • 79-30-1
    79-30-1

    isobutyryl chloride

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