Isobutyric Acid

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Product Description

Isobutyric acid's cas code is 79-31-2

Product Detail

Isobutyric acid Basic information

Chemical properties Uses Content analysis Toxicity Use limits Standard for Maximum Allowable Amount Production method Hazards & Safety Information

Product Name:	Isobutyric acid
CAS:	79-31-2
MF:	C4H8O2
MW:	88.11
EINECS:	201-195-7
Mol File:	79-31-2.mol

Isobutyric acid Chemical 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
Fp	132 °F
storage temp.	room temp
solubility	618g/l
pka	4.84(at 20℃)
form	Liquid
color	Clear colorless
PH	2.3 (500g/l, H2O, 25℃)
Odor Threshold	0.0015ppm
explosive limit	1.6-7.3%(V)
Water Solubility	210 g/L (20 ºC)
JECFA Number	253
Merck	14,5155
BRN	635770
InChIKey	KQNPFQTWMSNSAP-UHFFFAOYSA-N
CAS DataBase Reference	79-31-2(CAS DataBase Reference)
NIST Chemistry Reference	Propanoic acid, 2-methyl-(79-31-2)
EPA Substance Registry System	Isobutyric acid (79-31-2)

Isobutyric acid Safety Information

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
F	13
Autoignition Temperature	824 °F
TSCA	Yes
HazardClass	3
PackingGroup	III
HS Code	29156000
Hazardous Substances Data	79-31-2(Hazardous Substances Data)
Toxicity	LD50 orally in Rabbit: 266 mg/kg LD50 dermal Rabbit 475 mg/kg

Isobutyric acid Usage And Synthesis

Chemical properties	Colorless oily liquid; strong irritating odor; miscible with water; soluble in alcohol, ether and so on.
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).
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
Description	Isobutyric acid has an odor and flavor similar to n-butyric acid. Prepared via oxidation of isobutyl alcohol.
Chemical Properties	Isobutyric acid has strong penetrating odor of rancid butter. The odor and flavor are similar to n-butyric acid.
Chemical Properties	clear colorless liquid
Uses	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 sol- uble in water. it is obtained by chemical synthesis. it is also termed isopropylformic acid.
Uses	Manufacture of esters for solvents, flavors and perfume bases, disinfecting agent, varnish, deliming hides, tanning agent.
Definition	ChEBI: A branched fatty acid comprising propanoic acid carrying a methyl branch at C-2.
Preparation	By oxidation of isobutyl alcohol.
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	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].
Hazard	Toxic by ingestion, strong irritant to tissue.
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

Preparation Products

Permethrin-->Gemfibrozil-->Captopril-->Isobutyryl chloride-->Isobutyric anhydride-->Ethofenprox-->ethyl 3,3-dimethylpent-4-en-1-oate-->4-(3-ISOPROPYL-1,2,4-OXADIAZOL-5-YL)PIPERIDINE-->Methyl isobutyrate-->tert-Butyl peroxypivalate-->ethyl 4,6,6-trichloro-3,3-dimethyl-hex-5-enoate-->Isobutyramide-->Benzyl isobutyrate-->Isobutyl formate-->2-(4-Ethoxyphenyl)-2-methylpropanol-->Ethyl isobutyrate-->CITRONELLYL ISOBUTYRATE-->2-Bromo-2-methylpropionyl bromide-->Ethyl 2-(2-aminothiazole-4-yl)-2-(1-tert-butoxycarbonyl-1-methylethoxyimino)acetate-->Phenoxyethyl isobutyrate-->Butyl isobutyrate-->P-TOLYL ISOBUTYRATE-->Phenethyl isobutyrate-->OCTYL ISOBUTYRATE-->HEPTYL ISOBUTYRATE-->CINNAMYL ISOBUTYRATE-->Ethyl 2-bromoisobutyrate-->Hexyl isobutyrate

Raw materials

Carbon tetrachloride-->Hydrazinium hydroxide-->Hydrofluoric acid-->2-Methyl-1-propanol-->(3R,4S)-1-Benzoyl-3-(1-methoxy-1-methylethoxy)-4-phenyl-2-azetidinone-->Methacrylic acid-->Isobutyraldehyde-->(-)-MENTHYL CHLOROFORMATE-->Isobutyronitrile-->Diazinon-->Propyl gallate-->1-Nitropropane-->BUTYRAMIDINE-->Methyl isobutyrate-->AROMA-->Isopentyl isobutyrate-->Benzyl isobutyrate-->OCTYL ISOBUTYRATE

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