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Isobutyric acid

Chemical properties Uses Content analysis Toxicity Use limits Standard for Maximum Allowable Amount Production method Hazards & Safety Information
Isobutyric acid
Isobutyric acid
CAS No.
79-31-2
Chemical Name:
Isobutyric acid
Synonyms
FEMA 2222;Cenex RP b2;Tenox EBP 2;iso-C3H7COOH;i-Butyricacid;Isobuttersαure;ISOBUTYRIC ACID;Isobutanoicacid;ISO-BUTYRIC AID;ISOBUTTERSAEURE
CBNumber:
CB3367722
Molecular Formula:
C4H8O2
Formula Weight:
88.11
MOL File:
79-31-2.mol

Isobutyric acid Properties

Melting point:
-47 °C
Boiling point:
153-154 °C(lit.)
Density 
0.95 g/mL at 25 °C(lit.)
vapor density 
3.04 (vs air)
vapor pressure 
1.5 mm Hg ( 20 °C)
refractive index 
n20/D 1.393(lit.)
FEMA 
2222 | ISOBUTYRIC ACID
Flash point:
132 °F
storage temp. 
room temp
solubility 
618g/l
form 
Liquid
pka
4.84(at 20℃)
color 
Clear colorless
PH
2.3 (500g/l, H2O, 25℃)
explosive limit
1.6-7.3%(V)
Water Solubility 
210 g/L (20 ºC)
Merck 
14,5155
BRN 
635770
CAS DataBase Reference
79-31-2(CAS DataBase Reference)
NIST Chemistry Reference
Propanoic acid, 2-methyl-(79-31-2)
EPA Substance Registry System
Propanoic acid, 2-methyl-(79-31-2)
SAFETY
  • Risk and Safety Statements
  • Hazard and Precautionary Statements (GHS)
Hazard Codes  Xn
Risk Statements  21/22
Safety Statements  23-36/37/39-24/25
RIDADR  UN 2529 3/PG 3
WGK Germany  1
RTECS  NQ4375000
13
TSCA  Yes
HazardClass  3
PackingGroup  III
HS Code  29156000
Hazardous Substances Data 79-31-2(Hazardous Substances Data)
Symbol(GHS):
Signal word: Danger
Hazard statements:
Code Hazard statements Hazard class Category Signal word Pictogram P-Codes
H226 Flammable liquid and vapour Flammable liquids Category 3 Warning
H290 May be corrosive to metals Corrosive to Metals Category 1 Warning P234, P390, P404
H302 Harmful if swallowed Acute toxicity,oral Category 4 Warning P264, P270, P301+P312, P330, P501
H311 Toxic in contact with skin Acute toxicity,dermal Category 3 Danger P280, P302+P352, P312, P322, P361,P363, P405, P501
H312 Harmful in contact with skin Acute toxicity,dermal Category 4 Warning P280,P302+P352, P312, P322, P363,P501
H314 Causes severe skin burns and eye damage Skin corrosion/irritation Category 1A, B, C Danger P260,P264, P280, P301+P330+ P331,P303+P361+P353, P363, P304+P340,P310, P321, P305+ P351+P338, P405,P501
Precautionary statements:
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233 Keep container tightly closed.
P234 Keep only in original container.
P240 Ground/bond container and receiving equipment.
P241 Use explosion-proof electrical/ventilating/lighting/…/equipment.
P260 Do not breathe dust/fume/gas/mist/vapours/spray.
P264 Wash hands thoroughly after handling.
P264 Wash skin thouroughly after handling.
P270 Do not eat, drink or smoke when using this product.
P280 Wear protective gloves/protective clothing/eye protection/face protection.
P390 Absorb spillage to prevent material damage.
P303+P361+P353 IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P370+P378 In case of fire: Use … for extinction.
P405 Store locked up.
P406 Store in corrosive resistant/… container with a resistant inner liner.
P403+P235 Store in a well-ventilated place. Keep cool.
P501 Dispose of contents/container to..…

Isobutyric acid price More Price(24)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 58360 Isobutyric acid puriss. p.a., ≥99.5% 79-31-2 100ml $30.1 2018-11-13 Buy
Sigma-Aldrich 46935-U Isobutyric acid analytical standard 79-31-2 u $17.2 2018-11-13 Buy
TCI Chemical I0103 Isobutyric Acid >99.0%(GC) 79-31-2 25mL $14 2017-11-08 Buy
TCI Chemical I0103 Isobutyric Acid >99.0%(GC) 79-31-2 500mL $22 2017-11-08 Buy
Alfa Aesar L04038 Isobutyric acid, 99% 79-31-2 500ml $25.4 2018-11-13 Buy

Isobutyric acid Chemical Properties,Uses,Production

Chemical properties

Colorless oily liquid; strong irritating odor; miscible with water; soluble in alcohol, ether and so on.

Uses

1. 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 as edible flavor and used in pharmaceutical.
2. GB 2760-1996 provides for isobutyric acid as the food flavors allowed to use. It is mainly used for the preparation of butter, apple, caramel, cheese, bread, yeast and other flavors.
3. Isobutyric acid is not more important than butyric acid, but has the similar uses with n-butyric acid. Isobutyric acid is mainly used to produce the corresponding esters, such as methyl isobutyrate with apricot incense, propyl isobutyrate with pineapple flavor, isobutyl isobutyrate with banana flavor, octyl isobutyrate with grapes taste, benzyl isobutyrate with jasmine smell, etc. It can be used for preparing flavors and solvents and also used in the manufacture of varnishes and plasticizers. 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.
4. Used for the raw materials of perfume and perfume ester, and also used as the solvents of textile auxiliaries (in the form of salt) and a variety of chemical reactions.

Content analysis

Determined by the same content analysis method of "butyric acid (03454)".

Toxicity

GRAS (FEMA).
LD50 280 mg/kg (rat, oral).

Use limits

FEMA (mg/kg): soft drinks 4.1; cold drinks 12; candy 41; baked food 38; gummy candy 470; margarine 30.
Moderate use as limits (FDA § 172.515, 2000).

Standard for Maximum Allowable Amount

English name of the additive: isobutyric acid
English name of the food allowed to use the additive : food
Additive Function:Spice used in food
Maximum allowable use (g/kg) Maximum allowable residue (g/kg)
The spice ingredients for preparing essence shall not exceed the maximum allowable use and maximum allowable residue in GB 2760.

Production method

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.
Application: Isobutyric acid is not more important than butyric acid, but has the similar uses with n-butyric acid. Isobutyric acid is mainly used to produce the corresponding esters, such as methyl isobutyrate with apricot incense, propyl isobutyrate with pineapple flavor, isobutyl isobutyrate with banana flavor, octyl isobutyrate with grapes taste, benzyl isobutyrate with jasmine smell, etc. It can be used for preparing flavors and solvents and also used in the manufacture of varnishes and plasticizers. 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.

Hazards & Safety Information

Production method :Isobutyric acid can be derived from the oxidation of isobutanol.
Category : Flammable liquids
Toxicity classification : high toxicity
Acute Toxicity : Oral-Rat LD50: 280 mg/kg
Flammability hazard characteristics :Combust when meeting fire, high temperature and strong oxidant; Release irritating smoke when combusting.
Storage and transport characteristics  :Complete packaging; light loading and unloading; warehouse ventilation; away from the fire and high temperature; stored separately with oxidants and alkali.
Fire extinguishing agent : foam, dry powder, carbon dioxide, sand

Chemical Properties

clear colorless liquid

Definition

ChEBI: A branched fatty acid comprising propanoic acid carrying a methyl branch at C-2.

General Description

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.

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.]

Isobutyric acid Preparation Products And Raw materials

Raw materials

Preparation Products


Isobutyric acid Suppliers

Global( 197)Suppliers
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TCI (Shanghai) Development Co., Ltd. 021-67121386 / 800-988-0390
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