Isobutyric Acid - Materials / Alfa Chemistry

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Isobutyric Acid

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Catalog Number

ACMA00016992

Product Name

Isobutyric Acid

Category

Polymers

Description

Isobutyric acid appears as a colorless liquid with a light odor of rancid butter. Corrosive to metals and tissue.;Liquid;Liquid;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;colourless liquid with a strong penetrating odour of rancid butter

IUPAC Name

2-methylpropanoic acid

Molecular Weight

88.11g/mol

Molecular Formula

C4H8O2;(CH3)2CHCOOH;C4H8O2

Canonical SMILES

CC(C)C(=O)O

InChI

InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)

InChI Key

KQNPFQTWMSNSAP-UHFFFAOYSA-N

Boiling Point

309 °F at 760 mm Hg (USCG, 1999);154.4 °C;152-155 °C at 760 mm Hg;152-155 °C

Melting Point

-51 °F (USCG, 1999);-46.0 °C;Fp -47 °;-47 °C;-46°C;-47 °C

Flash Point

132 °F (NFPA, 2010);170 °F OPEN CUP;132 °F (56 °C) (closed cup);56 °C c.c.

Density

0.949 at 68 °F (USCG, 1999);d154 0.95;0.950 at 20 °C/4 °C;Relative density (water = 1): 0.95;0.944-0.948

Solubility

1.90 M;167 mg/mL at 20 °C;Slightly soluble in carbon tetrachloride;Sol in 6 parts of water; miscible with alcohol, chloroform, and ether.;In water, 1.67X10+5 mg/L at 20 °C;167 mg/mL at 20 °C;Solubility in water, g/100ml at 20 °C: 20;miscible with alcohol, most fixed oils, glycerine and propylene glycol; insoluble in water

Application

Isobutyric acid serves multiple purposes across various industries. Primarily, it is used to synthesize isobutyric acid esters, which are integral in creating flavors and perfumes. This substance is also employed as a disinfecting agent, preservative, and tanning agent. In sectors such as textiles, varnish, and leather, its utility is well recognized, and it even acts as a lactation stimulant for dairy cattle. Additionally, isobutyric acid plays a role in producing compounds like tetramethylsuccinic acid and diisopropyl ketone. In the chemical industry, it contributes to the production of isobutyronitrile intermediates, which are precursors for isobutylamidine hydrochloride, a critical component in manufacturing the pesticide diazinon. Its presence as a branched-chain saturated fatty acid enables it to function as a volatile oil component, plant metabolite, and more.

Color/Form

Colorless liquid

Complexity

56.6

Corrosivity

/2-Methylpropanoic acid/ is corrosive to metals.

Covalently-Bonded Unit Count

EC Number

201-195-7

Exact Mass

88.052429g/mol

Formal Charge

Heat of Vaporization

11,182.8 g cal/g mole

Heavy Atom Count

ICSC Number

0903

Log P

0.94 (LogP);0.94;log Kow = 0.94;0.94;0.88

MeSH Entry Terms

2-methpropanoic acid;ammonium isobutyrate;isobutyric acid;isobutyric acid, ammonium salt;isobutyric acid, calcium salt;isobutyric acid, hemiammoniate;isobutyric acid, nickel salt;isobutyric acid, potassium salt;isobutyric acid, sodium salt;isobutyric acid, sodium salt, 11C-labeled;isobutyric acid, sodium salt, 14C-labeled;sodium isobutyrate

Monoisotopic Mass

88.052429g/mol

NSC Number

62780

Odor

Pungent odor like that of butyric acid, but not as unpleasant;SHARP, BUTTER-FAT-LIKE ODOR

Other Experimental

Henry's Law constant = 8.85X10-7 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 2.00X10-12 cu cm/molec-sec at 25 °C

Refractive Index

n20D 1.3930;Index of refraction: 1.3930 at 20 °C/D;1.392-1.395

Rotatable Bond Count

RTECS Number