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Isobutyric acid

CAS No.79-31-2
Chemical Name:Isobutyric acid
CBNumber:CB3367722
Molecular Formula:C4H8O2
Formula Weight:88.11
MOL File:79-31-2.mol

Isobutyric acid Property

Melting point -47 °C (lit.)
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. Store below +30°C.
solubility 618g/l
form Liquid
pka 4.84(at 20℃)
color Clear colorless
PH 3.96(1 mM solution);3.44(10 mM solution);2.93(100 mM solution);
Odor at 1.00 % in propylene glycol. acidic sour cheese dairy buttery rancid
Odor Type acidic
biological source synthetic
explosive limit 1.6-7.3%(V)
Odor Threshold 0.0015ppm
Water Solubility 210 g/L (20 ºC)
Merck 14,5155
JECFA Number 253
BRN 635770
Dielectric constant 2.6（Ambient）
InChIKey KQNPFQTWMSNSAP-UHFFFAOYSA-N
LogP 1.1 at 25℃
Substances Added to Food (formerly EAFUS) ISOBUTYRIC ACID
FDA 21 CFR 172.515
CAS DataBase Reference 79-31-2(CAS DataBase Reference)
EWG's Food Scores 1-2
FDA UNII 8LL210O1U0
NIST Chemistry Reference Propanoic acid, 2-methyl-(79-31-2)
EPA Substance Registry System Isobutyric acid (79-31-2)
UNSPSC Code 85151701
NACRES NA.24

Safety

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

NFPA 704:

	2
3		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordDanger
Hazard statements H226-H302-H311-H314
Precautionary statements P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338

Isobutyric acid Price More Price(25)

Brand: Sigma-Aldrich(India)
Product number: W222216
Product name : Isobutyric acid
Purity: natural, ≥99%, FCC, FG
Packaging: 1SAMPLE-K
Price: ₹5196
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W222216
Product name : Isobutyric acid
Purity: natural, ≥99%, FCC, FG
Packaging: 100G
Price: ₹12611.13
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: W222216
Product name : Isobutyric acid
Purity: natural, ≥99%, FCC, FG
Packaging: 1KG
Price: ₹21249.48
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: W222208
Product name : Isobutyric acid
Purity: ≥99%, FCC, FG
Packaging: 1SAMPLE-K
Price: ₹5141.88
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: W222208
Product name : Isobutyric acid
Purity: ≥99%, FCC, FG
Packaging: 1KG
Price: ₹7339.35
Updated: 2022/06/14
Buy: Buy

Isobutyric acid Chemical Properties,Usage,Production

Chemical Properties Isobutyric acid is a clear colorless oily liquid with an odor and flavor similar to n-butyric acid. Miscible with water, soluble in ethanol and ether. Prepared via oxidation of isobutyl alcohol.
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.
Occurrence Isobutyric acid occurs naturally in Ceratonia siliqua L. The gum obtained from the kernels of this species is used as a thickener in the food industry. Reported found in several essential oils: Arnica montana, Roman chamomile, Laurus nobilis, imperatoria, and in carob fruits (Siliqua dulcis); also identified in the essence of Seseli tortuosum, Artemisia transiliensis.
Uses Isobutyric acid is used to prepare esters for flavors and perfumes. It is also used as a disinfecting agent, preservative and tanning agent. It finds applications in textile, varnish and the leather industry. Further, it is used as a lactation stimulant in dairy cattle. In addition to this, it is used in the preparation of tetramethylsuccinic acid and diisopropyl ketone.
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.
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.
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.
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].
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.
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.]
Toxics Screening Level An Initial Threshold Screening Level (ITSL) of 0.9 μg/m3) based on an annual averaging time is being established at this time for isobutyric acid.