Catalog Number
ACMA00016992
Product Name
Isobutyric Acid
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
Color/Form
Colorless liquid
Corrosivity
/2-Methylpropanoic acid/ is corrosive to metals.
Covalently-Bonded Unit Count
1
Heat of Vaporization
11,182.8 g cal/g mole
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
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
Stability
Stable during transport.
UN Number
2529;2529;2529;2529
Vapor Density
3.0;Relative vapor density (air = 1): 3.0
Vapor Pressure
1.81 mmHg;1.81 mm Hg at 25 °C;Vapor pressure, kPa at 14.7 °C: 0.13
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